 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer08_STD_wB97XD_augccpVDZ.in
 Output=30_ibuprofen_conformer08_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-46816.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46840.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer08_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer08_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.659259000000     -0.321312000000     -1.242193000000
  C                                                 1.490963000000     -0.745946000000     -0.207237000000
  C                                                -0.718090000000     -0.258894000000     -1.081887000000
  C                                                -1.309776000000     -0.623337000000      0.126200000000
  C                                                -0.482719000000     -1.046352000000      1.164346000000
  C                                                 0.893763000000     -1.109729000000      0.998704000000
  C                                                 2.987238000000     -0.775646000000     -0.362525000000
  C                                                 3.710480000000      0.390606000000      0.339713000000
  C                                                 3.287383000000      1.743851000000     -0.228396000000
  C                                                 5.224362000000      0.205410000000      0.249886000000
  C                                                -2.815068000000     -0.572574000000      0.328715000000
  C                                                -3.274676000000      0.873485000000      0.381112000000
  O                                                -3.494906000000      1.491243000000      1.389409000000
  O                                                -3.402223000000      1.428965000000     -0.848305000000
  H                                                 1.098199000000     -0.031355000000     -2.189320000000
  H                                                -1.334062000000      0.086297000000     -1.901266000000
  H                                                -0.922428000000     -1.331954000000      2.112188000000
  H                                                 1.513624000000     -1.448846000000      1.820517000000
  H                                                 3.246499000000     -0.759051000000     -1.425314000000
  H                                                 3.374941000000     -1.715698000000      0.040233000000
  H                                                 3.424573000000      0.363197000000      1.397105000000
  H                                                 2.212629000000      1.900857000000     -0.133760000000
  H                                                 3.544429000000      1.813495000000     -1.289511000000
  H                                                 3.795064000000      2.559094000000      0.290594000000
  H                                                 5.554471000000      0.218287000000     -0.792668000000
  H                                                 5.536289000000     -0.745777000000      0.686569000000
  H                                                 5.750693000000      1.005637000000      0.773849000000
  H                                                -3.026818000000     -0.959937000000      1.324718000000
  C                                                -3.586088000000     -1.398877000000     -0.707092000000
  H                                                -3.660581000000      2.353748000000     -0.711548000000
  H                                                -3.405320000000     -1.038742000000     -1.718004000000
  H                                                -4.660002000000     -1.355147000000     -0.518665000000
  H                                                -3.267355000000     -2.439875000000     -0.650623000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393980   0.000000
     3  C    1.388051   2.425314   0.000000
     4  C    2.416778   2.823181   1.393695   0.000000
     5  C    2.760657   2.422169   2.391872   1.393094   0.000000
     6  C    2.387093   1.394016   2.766017   2.419385   1.387860
     7  C    2.529767   1.504605   3.809720   4.327399   3.800687
     8  C    3.509872   2.552873   4.696278   5.126074   4.508635
     9  C    3.492810   3.070287   4.558865   5.182971   4.892712
    10  C    4.831553   3.879730   6.107531   6.587646   5.913875
    11  C    3.821234   4.342719   2.546666   1.519702   2.522419
    12  C    4.420238   5.067546   3.155754   2.483201   3.477679
    13  O    5.240970   5.693258   4.108648   3.292710   3.945036
    14  O    4.440074   5.393002   3.179308   3.088679   4.324519
    15  H    1.083417   2.143258   2.139413   3.392701   3.844034
    16  H    2.138656   3.397518   1.081647   2.148206   3.377226
    17  H    3.843827   3.398175   3.375697   2.143904   1.083198
    18  H    3.373643   2.146245   3.849738   3.394667   2.139614
    19  H    2.630392   2.136771   4.010744   4.815107   4.549280
    20  H    3.311172   2.133315   4.487130   4.811155   4.073475
    21  H    3.883479   2.746445   4.867654   5.000251   4.160281
    22  H    2.929098   2.744406   3.761992   4.341252   4.199526
    23  H    3.589407   3.455254   4.744151   5.612993   5.515257
    24  H    4.525422   4.059557   5.494845   6.017830   5.662341
    25  H    4.945335   4.217176   6.297330   6.976427   6.471235
    26  H    5.261722   4.142892   6.517802   6.870052   6.045418
    27  H    5.634529   4.709127   6.847478   7.274835   6.574083
    28  H    4.536963   4.775251   3.407849   2.120844   2.550613
    29  C    4.412533   5.143211   3.108930   2.545080   3.641079
    30  H    5.108674   6.033311   3.952379   3.884732   5.017815
    31  H    4.154745   5.132420   2.869497   2.822225   4.104826
    32  H    5.466886   6.188900   4.130092   3.489328   4.514153
    33  H    4.500729   5.070264   3.382517   2.781255   3.604194
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519364   0.000000
     8  C    3.258707   1.541545   0.000000
     9  C    3.921493   2.540855   1.527426   0.000000
    10  C    4.587418   2.518381   1.527811   2.519413   0.000000
    11  C    3.806947   5.846863   6.596258   6.551039   8.077370
    12  C    4.657300   6.517990   7.001949   6.647530   8.526265
    13  O    5.116456   7.087048   7.364160   6.977145   8.886929
    14  O    5.320893   6.776541   7.285610   6.725643   8.781861
    15  H    3.371673   2.731230   3.660338   3.433527   4.799063
    16  H    3.847533   4.667366   5.528290   5.186881   6.903229
    17  H    2.141910   4.660383   5.250973   5.715017   6.604141
    18  H    1.083792   2.718531   3.225297   4.187789   4.355803
    19  H    3.396205   1.094080   2.156921   2.774672   2.765578
    20  H    2.728023   1.093721   2.153785   3.471067   2.674877
    21  H    2.955204   2.141150   1.095706   2.137120   2.140152
    22  H    3.476422   2.795715   2.179127   1.090277   3.477393
    23  H    4.561491   2.805961   2.169460   1.094024   2.788881
    24  H    4.730669   3.492798   2.170693   1.091656   2.753975
    25  H    5.166705   2.786326   2.170779   2.790239   1.093644
    26  H    4.667219   2.756656   2.178360   3.477497   1.092130
    27  H    5.302368   3.478649   2.174674   2.759955   1.091753
    28  H    3.936963   6.248970   6.941569   7.042142   8.402099
    29  C    4.802334   6.611789   7.585378   7.573011   9.006307
    30  H    5.971824   7.355843   7.700105   6.991396   9.191405
    31  H    5.086026   6.539980   7.543994   7.399597   8.938228
    32  H    5.762547   7.670755   8.593569   8.535161  10.036267
    33  H    4.669526   6.478626   7.594904   7.787582   8.939670
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518246   0.000000
    13  O    2.417973   1.202825   0.000000
    14  O    2.395054   1.355099   2.240498   0.000000
    15  H    4.684771   5.152465   6.018490   4.917790   0.000000
    16  H    2.756865   3.097563   4.179912   2.681189   2.452083
    17  H    2.709155   3.659734   3.887222   4.747270   4.927216
    18  H    4.661641   5.512978   5.823689   6.290466   4.273248
    19  H    6.313001   6.960896   7.644150   7.023237   2.393416
    20  H    6.301283   7.144052   7.700620   7.523853   3.604368
    21  H    6.399238   6.795040   7.010830   7.265182   4.293033
    22  H    5.622231   5.606345   5.921468   5.679773   3.033270
    23  H    6.982491   7.083417   7.538746   6.971262   3.193301
    24  H    7.314550   7.268473   7.449252   7.373956   4.487035
    25  H    8.481282   8.930895   9.395377   9.038319   4.676678
    26  H    8.360815   8.963728   9.330634   9.326432   5.336458
    27  H    8.721305   9.034876   9.278784   9.305185   5.612613
    28  H    1.089454   2.076839   2.496312   3.251125   5.497863
    29  C    1.533018   2.538660   3.571614   2.837329   5.099967
    30  H    3.218757   1.879896   2.277144   0.969884   5.524356
    31  H    2.180543   2.842528   4.008100   2.616479   4.638820
    32  H    2.175834   2.774081   3.619410   3.072776   6.140065
    33  H    2.156497   3.470286   4.434772   3.876234   5.217913
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276528   0.000000
    18  H    4.931293   2.456234   0.000000
    19  H    4.682166   5.497462   3.743540   0.000000
    20  H    5.402899   4.786192   2.589425   1.754850   0.000000
    21  H    5.796597   4.720307   2.667303   3.042565   2.483016
    22  H    4.358408   5.032289   3.940599   3.132429   3.802724
    23  H    5.211250   6.435699   4.943613   2.593299   3.775202
    24  H    6.101386   6.380689   4.858932   3.775626   4.302677
    25  H    6.978417   7.265787   5.092790   2.584988   3.030573
    26  H    7.388570   6.640107   4.238157   3.115022   2.455590
    27  H    7.628577   7.196251   5.007270   3.771131   3.686198
    28  H    3.790383   2.277490   4.593524   6.852557   6.572944
    29  C    2.950155   3.879163   5.691956   6.899961   7.008195
    30  H    3.459690   5.390303   6.902425   7.609647   8.162361
    31  H    2.364193   4.573959   6.073329   6.664127   7.037159
    32  H    3.879591   4.570709   6.602591   7.980608   8.062424
    33  H    3.418081   3.789366   5.472333   6.771677   6.717277
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485308   0.000000
    23  H    3.055427   1.765526   0.000000
    24  H    2.486683   1.765631   1.765069   0.000000
    25  H    3.058197   3.799093   2.613773   3.122234   0.000000
    26  H    2.488781   4.327162   3.797667   3.756439   1.765755
    27  H    2.492391   3.760727   3.126930   2.543865   1.764199
    28  H    6.586074   6.145169   7.596539   7.745390   8.916841
    29  C    7.528739   6.696422   7.842373   8.434590   9.282907
    30  H    7.655594   5.918914   7.248316   7.525497   9.459596
    31  H    7.636542   6.535474   7.524485   8.296048   9.094736
    32  H    8.484293   7.614642   8.828770   9.352236  10.338580
    33  H    7.538720   7.009945   8.056037   8.703640   9.214696
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766646   0.000000
    28  H    8.589523   9.011750   0.000000
    29  C    9.251302   9.754504   2.152604   0.000000
    30  H    9.805315   9.622676   3.940627   3.753367   0.000000
    31  H    9.263918   9.706770   3.067186   1.088263   3.547830
    32  H   10.285343  10.752975   2.494302   1.091196   3.846030
    33  H    9.064337   9.758374   2.479929   1.090163   4.810110
                   31         32         33
    31  H    0.000000
    32  H    1.764300   0.000000
    33  H    1.766780   1.770173   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.06D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3410822           0.2605989           0.2498493
 Leave Link  202 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.6785235907 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0240315650 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.6544920257 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.78D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              10.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer08_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              10.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.576979836266    
 DIIS: error= 1.65D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.576979836266     IErMin= 1 ErrMin= 1.65D-03
 ErrMax= 1.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-03 BMatP= 7.94D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.65D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.362 Goal=   None    Shift=    0.000
 GapD=    0.362 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.37D-02 MaxDP=7.82D+00              OVMax= 1.13D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.31D-02    CP:  1.84D+00
 E= -656.583175155529     Delta-E=       -0.006195319264 Rises=F Damp=F
 DIIS: error= 2.54D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.583175155529     IErMin= 2 ErrMin= 2.54D-04
 ErrMax= 2.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-04 BMatP= 7.94D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.54D-03
 Coeff-Com: -0.457D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.455D-01 0.105D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=9.93D-03 MaxDP=1.23D+00 DE=-6.20D-03 OVMax= 4.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.30D-03    CP:  1.97D+00  1.15D+00
 E= -656.583319543142     Delta-E=       -0.000144387613 Rises=F Damp=F
 DIIS: error= 2.61D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.583319543142     IErMin= 2 ErrMin= 2.54D-04
 ErrMax= 2.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.38D-05 BMatP= 1.25D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.61D-03
 Coeff-Com: -0.354D-01 0.485D+00 0.551D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.353D-01 0.483D+00 0.552D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=5.67D-04 MaxDP=7.31D-02 DE=-1.44D-04 OVMax= 1.28D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.91D-05    CP:  1.98D+00  1.16D+00  1.08D+00
 E= -656.583377136548     Delta-E=       -0.000057593405 Rises=F Damp=F
 DIIS: error= 6.41D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.583377136548     IErMin= 4 ErrMin= 6.41D-05
 ErrMax= 6.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-06 BMatP= 8.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.244D-02-0.210D-01 0.132D+00 0.891D+00
 Coeff:     -0.244D-02-0.210D-01 0.132D+00 0.891D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.02D-04 MaxDP=3.80D-02 DE=-5.76D-05 OVMax= 6.56D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.48D-05    CP:  1.98D+00  1.16D+00  1.15D+00  1.52D+00
 E= -656.583380719110     Delta-E=       -0.000003582563 Rises=F Damp=F
 DIIS: error= 2.47D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.583380719110     IErMin= 5 ErrMin= 2.47D-05
 ErrMax= 2.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.91D-07 BMatP= 3.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.498D-01 0.135D-01 0.421D+00 0.614D+00
 Coeff:      0.172D-02-0.498D-01 0.135D-01 0.421D+00 0.614D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.01D-05 MaxDP=2.98D-03 DE=-3.58D-06 OVMax= 2.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.36D-05    CP:  1.98D+00  1.16D+00  1.16D+00  1.64D+00  1.18D+00
 E= -656.583381468447     Delta-E=       -0.000000749337 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.583381468447     IErMin= 6 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-07 BMatP= 8.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.208D-01-0.106D-01 0.844D-01 0.302D+00 0.644D+00
 Coeff:      0.113D-02-0.208D-01-0.106D-01 0.844D-01 0.302D+00 0.644D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.39D-05 MaxDP=1.44D-03 DE=-7.49D-07 OVMax= 1.04D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.52D-06    CP:  1.98D+00  1.16D+00  1.16D+00  1.67D+00  1.23D+00
                    CP:  1.12D+00
 E= -656.583381567177     Delta-E=       -0.000000098730 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.583381567177     IErMin= 7 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-09 BMatP= 1.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-03-0.890D-03-0.427D-02-0.208D-01 0.373D-01 0.215D+00
 Coeff-Com:  0.773D+00
 Coeff:      0.156D-03-0.890D-03-0.427D-02-0.208D-01 0.373D-01 0.215D+00
 Coeff:      0.773D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.20D-05 MaxDP=1.51D-03 DE=-9.87D-08 OVMax= 2.78D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.56D-06    CP:  1.98D+00  1.16D+00  1.16D+00  1.68D+00  1.25D+00
                    CP:  1.16D+00  1.26D+00
 E= -656.583381576496     Delta-E=       -0.000000009319 Rises=F Damp=F
 DIIS: error= 7.70D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.583381576496     IErMin= 8 ErrMin= 7.70D-07
 ErrMax= 7.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-10 BMatP= 6.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.759D-04 0.198D-02-0.422D-04-0.163D-01-0.236D-01-0.271D-01
 Coeff-Com:  0.209D+00 0.856D+00
 Coeff:     -0.759D-04 0.198D-02-0.422D-04-0.163D-01-0.236D-01-0.271D-01
 Coeff:      0.209D+00 0.856D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.81D-06 MaxDP=4.66D-04 DE=-9.32D-09 OVMax= 1.41D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.27D-07    CP:  1.98D+00  1.16D+00  1.16D+00  1.68D+00  1.26D+00
                    CP:  1.19D+00  1.30D+00  1.14D+00
 E= -656.583381577427     Delta-E=       -0.000000000931 Rises=F Damp=F
 DIIS: error= 1.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.583381577427     IErMin= 9 ErrMin= 1.69D-07
 ErrMax= 1.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-11 BMatP= 6.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.365D-04 0.738D-03 0.286D-03-0.421D-02-0.958D-02-0.259D-01
 Coeff-Com:  0.191D-01 0.274D+00 0.745D+00
 Coeff:     -0.365D-04 0.738D-03 0.286D-03-0.421D-02-0.958D-02-0.259D-01
 Coeff:      0.191D-01 0.274D+00 0.745D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.15D-07 MaxDP=3.20D-05 DE=-9.31D-10 OVMax= 3.20D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.92D-07    CP:  1.98D+00  1.16D+00  1.16D+00  1.68D+00  1.26D+00
                    CP:  1.19D+00  1.32D+00  1.16D+00  9.92D-01
 E= -656.583381577616     Delta-E=       -0.000000000190 Rises=F Damp=F
 DIIS: error= 7.19D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.583381577616     IErMin=10 ErrMin= 7.19D-08
 ErrMax= 7.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-11 BMatP= 6.49D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-05-0.539D-04 0.110D-03 0.111D-02 0.937D-03-0.538D-02
 Coeff-Com: -0.253D-01-0.399D-01 0.265D+00 0.804D+00
 Coeff:     -0.102D-05-0.539D-04 0.110D-03 0.111D-02 0.937D-03-0.538D-02
 Coeff:     -0.253D-01-0.399D-01 0.265D+00 0.804D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.31D-07 MaxDP=3.91D-05 DE=-1.90D-10 OVMax= 1.97D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.49D-08    CP:  1.98D+00  1.16D+00  1.16D+00  1.67D+00  1.26D+00
                    CP:  1.18D+00  1.32D+00  1.17D+00  1.02D+00  1.05D+00
 E= -656.583381577604     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 2.36D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.583381577616     IErMin=11 ErrMin= 2.36D-08
 ErrMax= 2.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-12 BMatP= 1.08D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.392D-05-0.110D-03 0.739D-05 0.916D-03 0.161D-02 0.793D-03
 Coeff-Com: -0.120D-01-0.479D-01 0.134D-01 0.312D+00 0.732D+00
 Coeff:      0.392D-05-0.110D-03 0.739D-05 0.916D-03 0.161D-02 0.793D-03
 Coeff:     -0.120D-01-0.479D-01 0.134D-01 0.312D+00 0.732D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.00D-07 MaxDP=1.12D-05 DE= 1.25D-11 OVMax= 5.96D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.36D-08    CP:  1.98D+00  1.16D+00  1.16D+00  1.67D+00  1.26D+00
                    CP:  1.18D+00  1.31D+00  1.16D+00  1.03D+00  1.10D+00
                    CP:  1.07D+00
 E= -656.583381577611     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.13D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.583381577616     IErMin=12 ErrMin= 1.13D-08
 ErrMax= 1.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-13 BMatP= 1.41D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-05-0.286D-04-0.120D-04 0.148D-03 0.442D-03 0.881D-03
 Coeff-Com: -0.721D-03-0.105D-01-0.280D-01 0.216D-02 0.236D+00 0.800D+00
 Coeff:      0.137D-05-0.286D-04-0.120D-04 0.148D-03 0.442D-03 0.881D-03
 Coeff:     -0.721D-03-0.105D-01-0.280D-01 0.216D-02 0.236D+00 0.800D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.81D-08 MaxDP=1.86D-06 DE=-7.28D-12 OVMax= 2.18D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.02D-09    CP:  1.98D+00  1.16D+00  1.16D+00  1.67D+00  1.26D+00
                    CP:  1.18D+00  1.31D+00  1.16D+00  1.02D+00  1.11D+00
                    CP:  1.14D+00  1.08D+00
 E= -656.583381577561     Delta-E=        0.000000000050 Rises=F Damp=F
 DIIS: error= 3.18D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -656.583381577616     IErMin=13 ErrMin= 3.18D-09
 ErrMax= 3.18D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-14 BMatP= 1.41D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-06 0.682D-05-0.377D-05-0.795D-04-0.794D-04 0.121D-03
 Coeff-Com:  0.135D-02 0.335D-02-0.904D-02-0.405D-01-0.363D-01 0.212D+00
 Coeff-Com:  0.869D+00
 Coeff:     -0.143D-06 0.682D-05-0.377D-05-0.795D-04-0.794D-04 0.121D-03
 Coeff:      0.135D-02 0.335D-02-0.904D-02-0.405D-01-0.363D-01 0.212D+00
 Coeff:      0.869D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.67D-09 MaxDP=9.52D-07 DE= 5.05D-11 OVMax= 1.14D-07

 SCF Done:  E(RwB97XD) =  -656.583381578     A.U. after   13 cycles
            NFock= 13  Conv=0.87D-08     -V/T= 2.0061
 KE= 6.526026192087D+02 PE=-3.472418624145D+03 EE= 1.190578131333D+03
 Leave Link  502 at Wed Sep  8 12:51:43 2021, MaxMem=  6442450944 cpu:           10530.3 elap:            1318.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11563121D+03

 Leave Link  801 at Wed Sep  8 12:51:43 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.24D-01 7.82D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.96D-02 5.89D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 6.01D-03 1.68D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 7.64D-04 4.42D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.13D-04 1.31D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 6.19D-06 4.45D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.46D-07 9.72D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.43D-08 1.67D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 4.80D-10 2.66D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.25D-11 6.27D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 3.73D-13 1.31D-07.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 8.01D-14 1.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.220454D+03
      2 -0.203962D+01  0.138323D+03
      3 -0.445855D+00 -0.683302D+01  0.151998D+03
 Isotropic polarizability for W=    0.088559      170.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.259266D+03  0.448242D+02  0.352359D+01
      2  -0.135268D+03 -0.267250D+02  0.206014D+02
      3  -0.123998D+03 -0.180993D+02 -0.241250D+02
      4  -0.340626D+02  0.789065D+02 -0.246801D+02
      5  -0.143695D+01 -0.265297D+02  0.633324D+02
      6  -0.126017D+02  0.136061D+02 -0.339323D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.171473D+01 -0.714299D+01  0.227646D+02
      2   0.105998D+02 -0.793457D+01  0.320918D+02
      3  -0.107099D+03 -0.450655D+02  0.105107D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.184957D+01 -0.699535D+01  0.158330D+02
      2   0.496054D+01 -0.120784D+02  0.187330D+03
      3  -0.788869D+02 -0.214175D+03  0.139280D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.825671D+00 -0.111855D+01  0.132018D+02
      2  -0.111855D+01  0.137838D+01 -0.112183D+00
      3   0.132018D+02 -0.112183D+00 -0.134265D+01
 OR G Eigenvalues:   -13.5354     1.3398    13.0570  Iso=    -0.2871
 Eigenvectors:
   (1)  -0.677984  -0.045331   0.733677
   (2)   0.025815   0.996013   0.085395
   (3)   0.734623  -0.076836   0.674111
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2871 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      -70.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.24D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.12D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.41D-02 2.78D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.87D-03 1.04D-02.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.63D-05 2.36D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.99D-06 3.30D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.99D-08 2.47D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.43D-10 1.40D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 3.59D-12 1.25D-07.
     29 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 3.83D-14 1.50D-08.
     11 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 4.50D-15 5.19D-09.
      2 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 3.16D-15 4.09D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   282 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 8.18D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 8.18D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220454D+03 -0.203962D+01 -0.445855D+00
      2  -0.203962D+01  0.138323D+03 -0.683302D+01
      3  -0.445855D+00 -0.683302D+01  0.151998D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.171473D+01 -0.714299D+01  0.227646D+02
      2   0.105998D+02 -0.793457D+01  0.320918D+02
      3  -0.107099D+03 -0.450655D+02  0.105107D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.259266D+03  0.448242D+02  0.352359D+01
      2  -0.135268D+03 -0.267250D+02  0.206014D+02
      3  -0.123998D+03 -0.180993D+02 -0.241250D+02
      4  -0.340626D+02  0.789065D+02 -0.246801D+02
      5  -0.143695D+01 -0.265297D+02  0.633324D+02
      6  -0.126017D+02  0.136061D+02 -0.339323D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.126627D+02  0.252351D+00  0.947805D+00  0.573942D+01  0.205698D+01
      2   0.252351D+00  0.113497D+01  0.137760D+00  0.205698D+01  0.198573D+01
      3   0.947805D+00  0.137760D+00  0.183948D+01 -0.145584D+00 -0.288254D+01
                 6             7             8             9            10 
      1  -0.145584D+00 -0.107629D+02  0.316515D+00 -0.322786D+00  0.305355D+02
      2  -0.288254D+01  0.316515D+00 -0.142735D+01 -0.109439D+01  0.149931D+01
      3  -0.214740D+01 -0.322786D+00 -0.109439D+01 -0.193709D+01 -0.102315D+01
                11            12            13            14            15 
      1   0.149931D+01 -0.102315D+01 -0.610644D+00  0.475769D+01  0.125396D+01
      2   0.203956D+01 -0.660189D+00  0.475769D+01 -0.801606D+00 -0.141694D+00
      3  -0.660189D+00  0.295785D+01  0.125396D+01 -0.141694D+00 -0.690179D+00
                16            17            18            19            20 
      1  -0.271421D+01  0.115822D+01  0.112773D+01  0.100912D+02 -0.651210D+00
      2   0.115822D+01  0.438864D+00 -0.813377D+00 -0.651210D+00 -0.963506D+00
      3   0.112773D+01 -0.813377D+00 -0.643265D+00 -0.900990D+00 -0.375315D+00
                21            22            23            24            25 
      1  -0.900990D+00  0.402139D+01 -0.127246D+01 -0.102209D+01 -0.133774D+02
      2  -0.375315D+00 -0.127246D+01  0.220965D+01 -0.234849D+01  0.158519D+00
      3  -0.334454D+01 -0.102209D+01 -0.234849D+01 -0.142426D+01  0.674526D+00
                26            27            28            29            30 
      1   0.158519D+00  0.674526D+00 -0.283877D+02  0.101231D+00  0.823136D+00
      2  -0.107400D+01 -0.818220D+00  0.101231D+00 -0.173701D+01  0.276708D+00
      3  -0.818220D+00 -0.162391D+01  0.823136D+00  0.276708D+00 -0.284438D+01
                31            32            33            34            35 
      1   0.207858D+01 -0.486629D+01 -0.157410D+01  0.269793D+01 -0.138256D+01
      2  -0.486629D+01  0.409636D+00  0.431818D+00 -0.138256D+01 -0.585541D-01
      3  -0.157410D+01  0.431818D+00 -0.223843D-01 -0.688746D+00 -0.960690D+00
                36            37            38            39            40 
      1  -0.688746D+00  0.131711D+02 -0.321922D+00 -0.104004D+01 -0.373181D+01
      2  -0.960690D+00 -0.321922D+00 -0.255754D+01  0.144890D+01 -0.158000D+01
      3   0.419360D+00 -0.104004D+01  0.144890D+01 -0.217133D+01 -0.322623D+00
                41            42            43            44            45 
      1  -0.158000D+01 -0.322623D+00  0.114426D+02 -0.161200D+01  0.168102D+00
      2  -0.282818D+01  0.257693D+01 -0.161200D+01  0.127393D+01  0.132440D+01
      3   0.257693D+01  0.181316D+01  0.168102D+00  0.132440D+01  0.187836D+01
                46            47            48            49            50 
      1  -0.961319D+01  0.254642D+00  0.711634D+00 -0.297401D+01  0.109588D+01
      2   0.254642D+00  0.223166D+01 -0.941133D+00  0.109588D+01 -0.339091D+01
      3   0.711634D+00 -0.941133D+00  0.326524D+01  0.137921D+01  0.223874D+01
                51            52            53            54            55 
      1   0.137921D+01  0.128357D+02  0.139857D+01 -0.100388D+01 -0.147249D+02
      2   0.223874D+01  0.139857D+01  0.204870D-01  0.146326D+01 -0.210589D+01
      3   0.120233D+01 -0.100388D+01  0.146326D+01  0.101403D+01 -0.445794D+00
                56            57            58            59            60 
      1  -0.210589D+01 -0.445794D+00 -0.573730D+01 -0.718826D+01 -0.515131D+00
      2  -0.348002D+01 -0.131525D+00 -0.718826D+01  0.225235D+01 -0.178770D+01
      3  -0.131525D+00 -0.145443D+01 -0.515131D+00 -0.178770D+01  0.202200D-01
                61            62            63            64            65 
      1  -0.574868D+01 -0.130123D+01 -0.311363D+01 -0.144420D+01  0.292418D+01
      2  -0.130123D+01 -0.314850D+01  0.643115D+00  0.292418D+01  0.388812D+01
      3  -0.311363D+01  0.643115D+00  0.519327D+01 -0.106211D+00  0.380250D+00
                66            67            68            69            70 
      1  -0.106211D+00  0.108327D+02  0.650605D+01  0.789122D+00  0.549914D+01
      2   0.380250D+00  0.650605D+01 -0.169106D+01  0.229463D+01  0.133129D+01
      3   0.250530D+01  0.789122D+00  0.229463D+01  0.451414D+00  0.378511D+01
                71            72            73            74            75 
      1   0.133129D+01  0.378511D+01  0.610388D+01 -0.235326D+01 -0.102723D+01
      2   0.328748D+01  0.505956D+00 -0.235326D+01 -0.350458D+01 -0.659310D+00
      3   0.505956D+00 -0.701368D+01 -0.102723D+01 -0.659310D+00 -0.194466D+01
                76            77            78            79            80 
      1  -0.350813D+01 -0.391071D+01 -0.884347D+00 -0.205005D+01 -0.887460D+00
      2  -0.391071D+01 -0.908261D-01 -0.297673D+01 -0.887460D+00 -0.409600D+01
      3  -0.884347D+00 -0.297673D+01 -0.972131D+00 -0.270263D+01 -0.181888D+01
                81            82            83            84            85 
      1  -0.270263D+01  0.602476D+01 -0.171338D+01 -0.360150D+00 -0.365085D+01
      2  -0.181888D+01 -0.171338D+01 -0.342726D+01 -0.548351D+00 -0.548152D+01
      3   0.531391D+01 -0.360150D+00 -0.548351D+00 -0.286487D+01 -0.839691D+00
                86            87            88            89            90 
      1  -0.548152D+01 -0.839691D+00 -0.171591D+01 -0.893933D+00 -0.453874D+01
      2   0.198364D+01 -0.384301D+01 -0.893933D+00 -0.393636D+01 -0.240176D+00
      3  -0.384301D+01 -0.375502D+00 -0.453874D+01 -0.240176D+00  0.445130D+01
                91            92            93            94            95 
      1   0.513415D+01  0.176811D+01  0.187670D+01 -0.280210D+01  0.563528D+01
      2   0.176811D+01  0.192070D+01  0.427438D+00  0.563528D+01 -0.339380D+01
      3   0.187670D+01  0.427438D+00  0.156352D+01  0.149769D+01  0.610710D+00
                96            97            98            99           100 
      1   0.149769D+01  0.305241D+01  0.212311D+01  0.244686D+01  0.664617D+00
      2   0.610710D+00  0.212311D+01  0.640307D+00  0.273212D+01 -0.112912D+01
      3   0.232776D+01  0.244686D+01  0.273212D+01 -0.298087D+01 -0.159624D+01
               101           102           103           104           105 
      1  -0.112912D+01 -0.159624D+01 -0.231537D+00 -0.758616D+00  0.126359D+01
      2  -0.126360D+00  0.796414D+00 -0.758616D+00  0.281906D+01 -0.165185D+01
      3   0.796414D+00  0.596510D+00  0.126359D+01 -0.165185D+01 -0.289760D+01
               106           107           108           109           110 
      1  -0.386496D+01  0.169123D+01  0.141421D+01 -0.267981D+01  0.187858D+01
      2   0.169123D+01 -0.351798D+01 -0.344112D+01  0.187858D+01 -0.905619D+00
      3   0.141421D+01 -0.344112D+01 -0.218727D+01  0.332041D+01 -0.810139D+00
               111           112           113           114           115 
      1   0.332041D+01  0.307622D+01 -0.280486D+01 -0.174368D+01  0.636284D+01
      2  -0.810139D+00 -0.280486D+01  0.457645D+01  0.380512D+01 -0.288666D+01
      3  -0.147942D+01 -0.174368D+01  0.380512D+01  0.336328D+01 -0.335886D+01
               116           117           118           119           120 
      1  -0.288666D+01 -0.335886D+01  0.587615D+00 -0.706472D+00 -0.140362D+01
      2   0.475427D+01  0.407410D+01 -0.706472D+00  0.211838D+01 -0.163189D+00
      3   0.407410D+01  0.887012D+01 -0.140362D+01 -0.163189D+00 -0.121985D+00
               121           122           123           124           125 
      1  -0.177219D+01  0.334084D+01 -0.397039D+00 -0.381320D+01  0.971519D+00
      2   0.334084D+01 -0.675822D+01 -0.225008D+00  0.971519D+00 -0.156650D+01
      3  -0.397039D+00 -0.225008D+00 -0.144932D+00 -0.105887D+01  0.144146D+01
               126           127           128           129           130 
      1  -0.105887D+01  0.203387D+01  0.625663D+00 -0.202759D+01  0.228483D+00
      2   0.144146D+01  0.625663D+00  0.293894D+00 -0.426051D+00  0.144764D+00
      3  -0.405356D+01 -0.202759D+01 -0.426051D+00  0.218199D+01 -0.663599D+00
               131           132           133           134           135 
      1   0.144764D+00 -0.663599D+00 -0.233136D+01 -0.853545D+00  0.268208D+01
      2   0.334014D+00 -0.538651D+00 -0.853545D+00 -0.116324D+01  0.162997D+01
      3  -0.538651D+00  0.212768D+01  0.268208D+01  0.162997D+01 -0.704284D+01
               136           137           138           139           140 
      1  -0.465996D+01  0.170119D+01 -0.203780D+01  0.259222D+01 -0.132875D+01
      2   0.170119D+01 -0.123031D+01  0.524286D+00 -0.132875D+01  0.112308D+01
      3  -0.203780D+01  0.524286D+00 -0.183027D+01  0.106757D+01 -0.517990D+00
               141           142           143           144           145 
      1   0.106757D+01 -0.217839D+01  0.538501D+00 -0.267664D+01 -0.208162D+01
      2  -0.517990D+00  0.538501D+00 -0.878556D+00  0.142011D+01 -0.680782D+00
      3   0.185774D+01 -0.267664D+01  0.142011D+01 -0.469685D+01  0.203666D+01
               146           147           148           149           150 
      1  -0.680782D+00  0.203666D+01 -0.491621D+00 -0.174444D+00  0.729845D+00
      2  -0.382716D+00  0.684193D+00 -0.174444D+00 -0.519337D+00  0.751856D+00
      3   0.684193D+00 -0.218143D+01  0.729845D+00  0.751856D+00 -0.221432D+01
               151           152           153           154           155 
      1   0.207514D+01  0.100089D+01 -0.263632D+01  0.355594D+01 -0.106664D+01
      2   0.100089D+01  0.158996D+01 -0.233317D+01 -0.106664D+01  0.860157D+00
      3  -0.263632D+01 -0.233317D+01  0.706809D+01  0.251424D+01 -0.107410D+01
               156           157           158           159           160 
      1   0.251424D+01 -0.170451D+01  0.621480D+00 -0.128548D+01  0.267240D+01
      2  -0.107410D+01  0.621480D+00 -0.753978D+00  0.836624D+00 -0.122150D+01
      3   0.231725D+01 -0.128548D+01  0.836624D+00 -0.205655D+01  0.292451D+01
               161           162           163           164           165 
      1  -0.122150D+01  0.292451D+01  0.120113D+01 -0.614187D-01 -0.148455D+01
      2   0.158781D+01 -0.208373D+01 -0.614187D-01  0.745915D+00  0.303831D+00
      3  -0.208373D+01  0.511674D+01 -0.148455D+01  0.303831D+00  0.139541D+01
               166           167           168           169           170 
      1   0.161923D+01  0.116740D+01 -0.719703D-01 -0.374940D+01  0.144166D+00
      2   0.116740D+01 -0.356288D+00 -0.634010D+00  0.144166D+00 -0.116659D+01
      3  -0.719703D-01 -0.634010D+00  0.125790D+00  0.242135D+01 -0.119652D+01
               171           172           173           174           175 
      1   0.242135D+01  0.404755D+01 -0.183984D+01  0.670390D+00 -0.412910D+01
      2  -0.119652D+01 -0.183984D+01  0.230053D+01 -0.864485D-01  0.338465D+01
      3  -0.608483D+01  0.670390D+00 -0.864485D-01  0.386797D+00 -0.254749D+00
               176           177           178           179           180 
      1   0.338465D+01 -0.254749D+00  0.486210D+01 -0.454990D+00  0.108447D+01
      2  -0.638719D+01  0.902318D+00 -0.454990D+00  0.213616D+01 -0.105654D+01
      3   0.902318D+00 -0.782055D+00  0.108447D+01 -0.105654D+01  0.338853D+00
               181           182           183           184           185 
      1  -0.627210D+00 -0.710246D+00  0.122453D+01 -0.150996D+01 -0.838570D+00
      2  -0.710246D+00 -0.833391D+00 -0.546491D-01 -0.838570D+00  0.187229D+00
      3   0.122453D+01 -0.546491D-01 -0.102892D+01  0.862153D-01  0.625164D+00
               186           187           188           189           190 
      1   0.862153D-01  0.222195D+01  0.145645D+00 -0.650958D+00 -0.867492D+01
      2   0.625164D+00  0.145645D+00  0.103162D+01  0.715216D-02  0.563060D+00
      3  -0.141960D-01 -0.650958D+00  0.715216D-02  0.704108D+01  0.376936D+00
               191           192           193           194           195 
      1   0.563060D+00  0.376936D+00  0.139368D+00 -0.141245D+01  0.677957D-01
      2  -0.233020D+01  0.101110D+00 -0.141245D+01  0.604794D+00  0.308209D+00
      3   0.101110D+00 -0.661550D+00  0.677957D-01  0.308209D+00  0.385127D+00
               196           197           198           199           200 
      1   0.433463D+00 -0.119561D+00 -0.294441D+00  0.426941D+00  0.605860D+00
      2  -0.119561D+00  0.576588D+00  0.541122D+00  0.605860D+00  0.929595D+00
      3  -0.294441D+00  0.541122D+00 -0.311736D+00 -0.101534D+01 -0.313326D+00
               201           202           203           204           205 
      1  -0.101534D+01  0.268424D+00  0.558657D+00 -0.633624D-01 -0.183057D+01
      2  -0.313326D+00  0.558657D+00  0.740747D+00 -0.632120D+00 -0.551258D+00
      3   0.141361D+01 -0.633624D-01 -0.632120D+00  0.487671D+00  0.151004D+01
               206           207           208           209           210 
      1  -0.551258D+00  0.151004D+01  0.225185D+01  0.256168D+01  0.878972D+00
      2  -0.195712D+01  0.186507D+01  0.256168D+01  0.335664D+01  0.719339D+00
      3   0.186507D+01 -0.664588D+01  0.878972D+00  0.719339D+00  0.963509D+00
               211           212           213           214           215 
      1   0.232697D+01  0.324524D+01  0.836433D+00  0.183690D+01  0.150439D+01
      2   0.324524D+01  0.685130D+01  0.190674D+01  0.150439D+01  0.347464D+01
      3   0.836433D+00  0.190674D+01  0.135431D+01  0.122329D+01  0.181834D+01
               216           217           218           219           220 
      1   0.122329D+01  0.193303D+01  0.113663D+00 -0.151075D+01  0.364780D+00
      2   0.181834D+01  0.113663D+00  0.632199D+00  0.662023D-01  0.112630D+01
      3   0.107722D+01 -0.151075D+01  0.662023D-01  0.167111D+01  0.278943D-02
               221           222           223           224           225 
      1   0.112630D+01  0.278943D-02 -0.454094D+01  0.106127D+00  0.335656D+01
      2  -0.153064D+00 -0.393091D+00  0.106127D+00 -0.969236D+00 -0.506247D-01
      3  -0.393091D+00  0.984964D-01  0.335656D+01 -0.506247D-01 -0.597576D+01
               226           227           228           229           230 
      1   0.183417D+01 -0.163018D+01  0.843803D+00 -0.395335D+01  0.329999D+01
      2  -0.163018D+01  0.172338D+01 -0.528944D+00  0.329999D+01 -0.564299D+01
      3   0.843803D+00 -0.528944D+00  0.865107D+00 -0.109383D+01  0.200670D+01
               231           232           233           234           235 
      1  -0.109383D+01  0.200411D+01 -0.972281D+00  0.164492D+01  0.457473D+01
      2   0.200670D+01 -0.972281D+00  0.223924D+01 -0.131371D+01  0.239371D+01
      3  -0.161605D+01  0.164492D+01 -0.131371D+01  0.116354D+01  0.167741D+01
               236           237           238           239           240 
      1   0.239371D+01  0.167741D+01  0.561953D+01  0.355901D+01  0.164794D+01
      2   0.197533D+01  0.922967D+00  0.355901D+01  0.354498D+01  0.183755D+01
      3   0.922967D+00  0.137098D+01  0.164794D+01  0.183755D+01  0.166137D+01
               241           242           243           244           245 
      1   0.362326D+01  0.151113D+01  0.244065D+01  0.735218D-01 -0.816960D+00
      2   0.151113D+01  0.204018D+01  0.134591D+01 -0.816960D+00 -0.665952D+00
      3   0.244065D+01  0.134591D+01  0.161385D+01  0.117581D+01  0.217427D+00
               246           247           248           249           250 
      1   0.117581D+01 -0.122443D+01 -0.116570D+01  0.370220D+00  0.265543D+01
      2   0.217427D+00 -0.116570D+01 -0.968765D+00  0.114613D+01  0.408716D+00
      3  -0.108087D+01  0.370220D+00  0.114613D+01 -0.155573D+01 -0.179726D+01
               251           252           253           254           255 
      1   0.408716D+00 -0.179726D+01  0.778708D+01 -0.829070D+00 -0.201536D+01
      2   0.153298D+01 -0.138977D+01 -0.829070D+00 -0.330262D+01 -0.110886D+01
      3  -0.138977D+01  0.508181D+01 -0.201536D+01 -0.110886D+01 -0.162612D+01
               256           257           258           259           260 
      1  -0.374806D+01 -0.299074D+01 -0.140362D+01 -0.646777D+01 -0.161896D+01
      2  -0.299074D+01  0.486075D+01 -0.447049D+00 -0.161896D+01 -0.187042D+01
      3  -0.140362D+01 -0.447049D+00 -0.252268D+01 -0.213064D+01 -0.256764D+01
               261           262           263           264           265 
      1  -0.213064D+01 -0.129711D+01  0.157064D+01 -0.628694D+00  0.261854D+01
      2  -0.256764D+01  0.157064D+01 -0.181182D+01  0.462819D+00 -0.360691D+01
      3   0.256615D+01 -0.628694D+00  0.462819D+00 -0.485214D+00  0.876686D+00
               266           267           268           269           270 
      1  -0.360691D+01  0.876686D+00 -0.674764D-01 -0.245018D+00 -0.341470D+00
      2   0.880062D+01 -0.179403D+01 -0.245018D+00  0.440067D+00  0.621508D+00
      3  -0.179403D+01  0.159726D+01 -0.341470D+00  0.621508D+00 -0.677657D+00
               271           272           273           274           275 
      1  -0.335533D+00  0.373413D+00 -0.375986D+00  0.136543D+01  0.324055D+00
      2   0.373413D+00  0.499844D+00  0.221588D+00  0.324055D+00  0.155529D+00
      3  -0.375986D+00  0.221588D+00  0.429326D+00  0.400464D+00 -0.581501D+00
               276           277           278           279           280 
      1   0.400464D+00 -0.190532D+01 -0.212142D+00 -0.706612D+00 -0.148436D+02
      2  -0.581501D+00 -0.212142D+00 -0.125987D+01  0.357227D+00 -0.180671D+01
      3   0.131972D+01 -0.706612D+00  0.357227D+00 -0.601470D+01 -0.297535D+00
               281           282           283           284           285 
      1  -0.180671D+01 -0.297535D+00  0.575421D+00 -0.107052D+01  0.133951D+00
      2  -0.136849D+01 -0.181501D+00 -0.107052D+01 -0.608134D+00  0.806652D-01
      3  -0.181501D+00 -0.106806D+01  0.133951D+00  0.806652D-01  0.322774D+00
               286           287           288           289           290 
      1   0.197633D+01  0.425713D+00 -0.100599D+01 -0.267502D-03 -0.764184D+00
      2   0.425713D+00  0.518787D+00  0.875550D-01 -0.764184D+00  0.197650D+01
      3  -0.100599D+01  0.875550D-01  0.634273D-01  0.218586D+00  0.371799D+00
               291           292           293           294           295 
      1   0.218586D+00 -0.168712D+01 -0.373474D+00 -0.122579D+00  0.866878D+00
      2   0.371799D+00 -0.373474D+00 -0.909520D+01 -0.964437D+00  0.278843D+00
      3   0.465063D+00 -0.122579D+00 -0.964437D+00 -0.108014D+01  0.124063D+00
               296           297 
      1   0.278843D+00  0.124063D+00
      2   0.506867D+00 -0.699794D+00
      3  -0.699794D+00 -0.381197D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.410697D+00 -0.210625D+01  0.963952D+00 -0.692549D+01 -0.254958D+01
      2   0.350511D+01 -0.246475D+01  0.949361D+01 -0.252741D+01  0.174472D+01
      3   0.183313D+02 -0.237678D+01  0.297297D+01  0.773452D+01 -0.149330D+01
                 6             7             8             9            10 
      1  -0.206127D+01 -0.205635D+01  0.224946D+01 -0.402153D+00 -0.146630D+00
      2  -0.334400D+01 -0.452363D+01 -0.135260D+01  0.284414D+01  0.109232D+01
      3   0.228131D+01  0.148034D+02  0.470386D+00  0.309004D+01 -0.314055D+02
                11            12            13            14            15 
      1  -0.211443D-01  0.207516D+01  0.176543D+01  0.442119D+01 -0.879628D+01
      2   0.743659D+00 -0.396018D+01  0.502951D+01  0.361825D+00  0.560474D+00
      3  -0.918092D+00  0.670428D+00  0.109576D+02 -0.189077D+01 -0.346155D+00
                16            17            18            19            20 
      1  -0.264171D+01 -0.234809D+01 -0.433672D+01  0.123410D+01  0.108089D+01
      2  -0.253470D+02 -0.168109D+01 -0.311017D+01 -0.413020D+01 -0.196881D+01
      3  -0.226715D+01 -0.818159D+00 -0.220747D+01 -0.128042D+02 -0.424437D+00
                21            22            23            24            25 
      1  -0.167187D+01  0.493319D+01 -0.138189D+01 -0.333163D+01  0.332430D+01
      2   0.309826D+01 -0.521320D+01 -0.134311D+01  0.121381D+01 -0.127458D+01
      3   0.266186D+01  0.708453D+01  0.139167D+01 -0.290111D+01  0.184307D+02
                26            27            28            29            30 
      1   0.235346D+01 -0.167656D+01 -0.809635D+00  0.140157D+01 -0.218114D+01
      2   0.774858D+00 -0.149782D+01  0.349134D+01  0.905209D+00 -0.306853D+01
      3  -0.192321D+01 -0.456117D+01  0.303263D+02 -0.258713D+00 -0.209329D+01
                31            32            33            34            35 
      1  -0.650310D+00  0.412937D+01 -0.953732D+01 -0.454147D+01 -0.170484D+01
      2   0.432190D+01  0.796912D-01  0.231914D+01 -0.264938D+02  0.418004D+01
      3   0.853091D+01  0.480889D+01  0.107935D+01 -0.708174D+01 -0.846051D+00
                36            37            38            39            40 
      1  -0.333465D+01 -0.761598D+00 -0.115442D+01 -0.217644D+01 -0.559101D+01
      2   0.749238D-02  0.158144D+01 -0.264547D+01  0.829560D+01 -0.272719D+01
      3   0.141894D+01 -0.144196D+02 -0.960637D+00  0.307828D+01  0.149022D+02
                41            42            43            44            45 
      1   0.136470D+01  0.639316D+00 -0.943747D+00  0.351673D+01  0.239010D+01
      2   0.163857D+01 -0.185808D+01 -0.657398D+01 -0.108837D+01  0.184400D+01
      3  -0.118700D+01  0.276486D+01 -0.107173D+02  0.326234D+01  0.223500D+01
                46            47            48            49            50 
      1   0.196673D+00  0.131413D+01  0.338796D+01  0.813610D+01  0.151857D+01
      2  -0.277866D+01 -0.195130D+01  0.382399D+01 -0.398317D+01 -0.173350D+01
      3   0.133725D+02 -0.134767D+01 -0.110144D+01  0.141552D+02  0.152244D+01
                51            52            53            54            55 
      1  -0.237543D+01  0.282387D+01  0.377565D+01  0.718643D+00 -0.197226D+01
      2   0.106116D+01 -0.142790D+01  0.150909D+01 -0.186215D+01 -0.413379D+01
      3  -0.433172D+01 -0.109631D+02 -0.190601D+01 -0.108315D+01  0.159595D+02
                56            57            58            59            60 
      1  -0.217704D+00 -0.637031D+00 -0.529912D+00 -0.543236D+01 -0.852083D+00
      2   0.377586D+00 -0.113329D+01 -0.164309D+01 -0.107939D+02  0.154963D+01
      3   0.994020D+01  0.508771D+00  0.352898D+02  0.264309D+00  0.660643D+01
                61            62            63            64            65 
      1  -0.138313D+00  0.386656D+01  0.434652D+01  0.226164D+01  0.116951D+01
      2  -0.208632D+02  0.638539D+00  0.200686D+02  0.419759D+01  0.142646D+01
      3   0.965389D+01  0.115772D+02  0.155890D+01 -0.196174D+02 -0.198926D+02
                66            67            68            69            70 
      1  -0.167683D+01 -0.125443D+00 -0.178093D+01 -0.169752D+01  0.522348D+00
      2   0.128973D+02  0.480921D+01  0.109137D+02 -0.536197D-01  0.123799D+02
      3  -0.178744D+01 -0.259617D+02  0.613171D+01 -0.941121D+01 -0.102938D+02
                71            72            73            74            75 
      1   0.479332D+01  0.426857D+01  0.175950D+01  0.208695D+01  0.484440D+01
      2   0.287286D+01 -0.323119D+02 -0.573883D+00 -0.395659D+01 -0.503562D+01
      3  -0.138449D+02 -0.204586D+01  0.250861D+02  0.412660D+01  0.871982D+00
                76            77            78            79            80 
      1   0.284934D+01  0.935849D+01  0.156759D+01  0.660584D+01  0.774573D+01
      2  -0.505444D+01 -0.110067D+02 -0.356065D+01 -0.115856D+02 -0.626698D+01
      3   0.102803D+02 -0.715121D+01  0.890395D+01  0.146054D+01  0.123287D+02
                81            82            83            84            85 
      1  -0.115553D+02 -0.405893D+00 -0.465347D+00  0.335793D+00 -0.480886D+00
      2   0.179624D+02 -0.524431D+01 -0.234438D+01 -0.151005D+02 -0.377338D+01
      3   0.243856D+01  0.893214D+01  0.180429D+02  0.293397D+01  0.361123D+02
                86            87            88            89            90 
      1   0.133442D+01 -0.242436D+01  0.738235D+00  0.610610D+00 -0.126011D+01
      2  -0.212516D+02 -0.477848D+00 -0.299819D+02 -0.105927D+01  0.261455D+02
      3  -0.123382D+02  0.222240D+02  0.461890D+01  0.220545D+02  0.135122D+01
                91            92            93            94            95 
      1   0.202018D+01 -0.105102D+01  0.159177D+01  0.709585D+00 -0.155479D+01
      2  -0.105568D+02 -0.358670D-01 -0.193446D+01 -0.103867D+01 -0.438192D+01
      3  -0.427965D+01  0.112703D+01 -0.534974D+00  0.333412D+02 -0.159986D+02
                96            97            98            99           100 
      1  -0.201734D+01  0.127470D+01  0.539183D+01  0.181748D+00  0.117453D+01
      2  -0.101286D+02 -0.167022D+02 -0.984219D+01  0.106210D+02  0.542360D+01
      3  -0.888916D+00  0.253940D+01 -0.751301D+00  0.696872D+01  0.138941D+02
               101           102           103           104           105 
      1   0.183850D+01 -0.380552D+01  0.807857D+00 -0.146234D+01  0.146624D+01
      2  -0.382312D+01  0.715277D+01 -0.200761D+01  0.519016D+01  0.175749D+02
      3  -0.154598D+02  0.184337D+01 -0.682702D+01  0.744540D+00 -0.401678D+01
               106           107           108           109           110 
      1  -0.361468D+01 -0.153342D+01  0.431374D+01 -0.319597D+01 -0.234343D+01
      2  -0.223014D+01  0.135697D+02  0.935714D+01 -0.877517D+01  0.233161D+01
      3   0.100385D+02 -0.122134D+02 -0.104481D+02 -0.651547D-01 -0.921494D+00
               111           112           113           114           115 
      1   0.215676D+01 -0.187756D+01  0.400887D+01 -0.626798D+01  0.713539D+00
      2   0.487739D+01 -0.116432D+01 -0.107876D+02 -0.142689D+02  0.259231D+01
      3  -0.466458D+00 -0.474902D+01  0.192262D+02  0.123667D+02 -0.114231D+02
               116           117           118           119           120 
      1   0.678659D+01 -0.993759D+01  0.405558D+01 -0.984138D+00  0.338880D+00
      2  -0.124652D+02 -0.317313D+02  0.572529D+01 -0.457564D+00  0.175727D+01
      3   0.177244D+02  0.124673D+02 -0.404222D+01  0.538559D+01 -0.280350D+01
               121           122           123           124           125 
      1  -0.173274D+01  0.467175D+01 -0.138525D+01 -0.143124D+01  0.638701D+01
      2   0.488353D+00  0.368047D+01 -0.861925D+00 -0.116364D+01 -0.408964D+01
      3   0.950995D+01 -0.190239D+02 -0.169570D+01  0.231453D+01 -0.600157D+01
               126           127           128           129           130 
      1   0.755580D+01 -0.192424D+01 -0.201791D+01  0.105465D+01 -0.261995D+00
      2   0.156565D+02  0.446636D+01  0.884923D+00 -0.923528D+00  0.490299D+00
      3   0.543973D+01 -0.315887D+00 -0.107712D+01  0.944524D+00  0.117191D+01
               131           132           133           134           135 
      1  -0.118334D+01 -0.293368D+00  0.275447D+01  0.530937D+01 -0.478688D+01
      2  -0.355449D-01  0.578495D+00 -0.473366D+01 -0.326077D+00 -0.178370D+01
      3  -0.495427D+00  0.446273D+00  0.106303D+01  0.221105D+01 -0.173363D+01
               136           137           138           139           140 
      1  -0.419143D+01  0.435338D+01 -0.632119D+00  0.318880D+01 -0.279108D+01
      2  -0.968621D+01  0.310767D+01 -0.127335D+01  0.422088D+01 -0.233264D+01
      3   0.132399D+01 -0.226549D+01  0.596452D+00 -0.363771D+00  0.184292D+01
               141           142           143           144           145 
      1  -0.722802D+00 -0.101209D+01  0.346617D+01 -0.283354D+01  0.185558D+01
      2  -0.151184D-01 -0.375153D+01 -0.393725D+00  0.912175D+00  0.429366D+01
      3  -0.108447D+00  0.199812D+00 -0.211013D+01  0.161476D+01  0.277501D+01
               146           147           148           149           150 
      1  -0.927137D+00 -0.222212D+01  0.103286D+01  0.657160D-01 -0.351154D+01
      2   0.439922D+00 -0.846324D+00  0.680045D+00 -0.104506D+00  0.655745D+00
      3  -0.115703D+00 -0.192334D+01  0.173895D+01 -0.321826D+00 -0.574676D+00
               151           152           153           154           155 
      1  -0.175365D+01  0.225787D+01  0.556046D+01  0.251051D+01  0.127244D+01
      2  -0.429207D+01 -0.314436D+00 -0.102371D+01 -0.520886D+01  0.173039D+00
      3  -0.240762D+01  0.104674D+01  0.172766D+01 -0.486743D+01 -0.820503D+00
               156           157           158           159           160 
      1   0.231563D+01 -0.144565D+01  0.164937D+00 -0.368769D+01  0.243434D+01
      2  -0.163044D+00  0.937339D+00  0.208963D+00 -0.910143D+00 -0.305486D+01
      3  -0.224886D+01  0.364699D+01  0.702453D+00  0.781452D+00 -0.298395D+01
               161           162           163           164           165 
      1   0.155905D+01  0.423601D+01 -0.130798D+01 -0.673773D+00  0.112199D+01
      2  -0.262067D+00  0.221881D+01 -0.507193D+01  0.675601D+00  0.561327D+01
      3  -0.133419D+01 -0.185673D+01 -0.170336D+01 -0.356967D+01  0.550762D+00
               166           167           168           169           170 
      1   0.839932D-01 -0.326175D+00 -0.995717D+00  0.219236D+01  0.220652D+01
      2   0.501639D+00 -0.103510D+01  0.770736D+00  0.229246D+01 -0.397338D+01
      3  -0.325858D+01  0.912453D-01  0.155844D+01  0.317597D+01  0.415973D+01
               171           172           173           174           175 
      1  -0.609422D+01  0.100199D+01 -0.923417D+00  0.141807D+01 -0.160057D+01
      2  -0.201415D+02  0.486090D+01 -0.147523D+01  0.334890D+01 -0.269116D+01
      3   0.368778D+00  0.119808D+01 -0.716823D+01 -0.207091D+00 -0.382293D+01
               176           177           178           179           180 
      1   0.329920D+01 -0.344706D+01  0.160918D+01 -0.112245D+01  0.119066D+01
      2   0.582367D+01 -0.375242D+01  0.356872D+01 -0.407741D+01  0.106447D+01
      3   0.174485D+02 -0.216653D+01 -0.342967D+01 -0.700276D+01  0.188225D+01
               181           182           183           184           185 
      1  -0.231093D+01 -0.150094D+01  0.876386D+00 -0.100308D+01 -0.357715D+00
      2   0.755657D+01  0.665841D+00 -0.466328D+01  0.190448D+01  0.328821D+01
      3   0.228433D+01  0.250759D+01  0.431472D+00  0.515490D+01 -0.771122D+00
               186           187           188           189           190 
      1  -0.656137D+00  0.147427D+01  0.349117D+01 -0.396639D+01  0.643734D+00
      2  -0.603297D+00 -0.851089D+01 -0.755625D+00  0.288768D+02 -0.203360D+01
      3  -0.242253D+01  0.103765D+00 -0.354376D+01 -0.499591D+00 -0.257408D+02
               191           192           193           194           195 
      1   0.562765D+00  0.228550D+01  0.266054D+00 -0.630199D+00 -0.113703D+01
      2   0.383262D+00 -0.229008D+00  0.261161D+00  0.637213D+00  0.238635D+00
      3   0.622969D+01  0.482820D+00  0.653077D+01 -0.374714D+01 -0.109736D+01
               196           197           198           199           200 
      1   0.218270D+01  0.571314D+00  0.751895D+00  0.216780D+01 -0.997853D-01
      2  -0.331842D+01  0.108937D+01 -0.107884D+01 -0.317896D+01 -0.114478D+01
      3   0.764968D+00 -0.213122D+01 -0.263380D+01 -0.214931D+01 -0.336987D+01
               201           202           203           204           205 
      1  -0.302076D+01  0.208745D+00  0.104840D+01 -0.214770D+01 -0.293619D+01
      2   0.516621D+01 -0.203126D+00 -0.176401D+01  0.104879D+01  0.754227D+00
      3  -0.290560D+00 -0.404929D+00 -0.136857D+01  0.175886D+01 -0.220242D+01
               206           207           208           209           210 
      1  -0.358746D-01  0.149091D+02 -0.249777D+01 -0.212084D+01 -0.383890D+01
      2   0.587440D+01 -0.222167D+02  0.330921D+01  0.302833D+01  0.467024D+01
      3   0.691388D+01 -0.472213D+01 -0.445617D+01 -0.910304D+01 -0.736422D+00
               211           212           213           214           215 
      1  -0.325076D+01 -0.546042D+01 -0.591049D+01 -0.331547D+01 -0.323587D+01
      2   0.303892D+01  0.735160D+01  0.591024D+01  0.336653D+01  0.659829D+01
      3  -0.318728D+01 -0.190105D+02 -0.485262D+01 -0.847459D+00 -0.103357D+02
               216           217           218           219           220 
      1  -0.341155D+01  0.329883D+00 -0.422967D+00 -0.114778D+00  0.182547D+00
      2   0.413487D+01 -0.902686D+01  0.274553D+00  0.111389D+02 -0.292157D-01
      3  -0.430782D+01 -0.487686D+00 -0.452988D+01 -0.423980D+00 -0.460364D+01
               221           222           223           224           225 
      1   0.553995D-01 -0.887311D+00 -0.723201D+00  0.254985D+01  0.114589D+01
      2  -0.211279D+01  0.449280D+00  0.158547D+02 -0.236917D+00 -0.353174D+02
      3   0.924614D+00  0.177240D+01 -0.853738D+00  0.636839D+01  0.868359D-01
               226           227           228           229           230 
      1  -0.794324D+00  0.829765D+00  0.403912D+00  0.102181D+01 -0.282657D+01
      2   0.415261D+01 -0.247624D+01  0.542595D+01 -0.404044D+01  0.106039D+02
      3   0.878411D+01 -0.108555D+02  0.304903D+01 -0.146033D+02  0.322135D+02
               231           232           233           234           235 
      1  -0.151631D+01 -0.386914D+00  0.204643D+01  0.123124D+00  0.381726D+00
      2  -0.997989D+01  0.673866D+01 -0.704828D+01  0.595327D+01  0.754544D+01
      3  -0.111966D+02  0.460138D+01 -0.130239D+02  0.695737D+01 -0.117502D+02
               236           237           238           239           240 
      1   0.902715D+00 -0.938841D+00  0.450619D+00  0.138212D+01 -0.161462D+01
      2   0.430877D+01  0.926217D+01  0.671066D+01  0.932537D+01  0.100912D+02
      3  -0.128947D+02 -0.495674D+01 -0.163258D+02 -0.204677D+02 -0.101085D+02
               241           242           243           244           245 
      1  -0.540643D+00  0.160419D+01 -0.702556D+00  0.137469D+00 -0.477446D+00
      2   0.108331D+02  0.699099D+01  0.850943D+01 -0.503813D+01 -0.471306D+00
      3  -0.704436D+01 -0.121978D+02 -0.707707D+01 -0.304437D+01 -0.231181D+01
               246           247           248           249           250 
      1  -0.632965D+00 -0.150553D+00  0.215485D+00 -0.169227D+01 -0.604141D+00
      2   0.378515D+01  0.437498D-01 -0.305118D+01  0.535536D+01  0.969661D+00
      3   0.570646D-01 -0.106233D+01 -0.232194D+01  0.313758D+01 -0.974949D+00
               251           252           253           254           255 
      1   0.225562D+01  0.259777D+01 -0.210195D+01  0.856916D+00 -0.245783D+01
      2   0.449388D+01 -0.162305D+02  0.180805D+02  0.507266D+01  0.862641D+01
      3   0.462887D+01 -0.341882D+01 -0.152709D+02 -0.132999D+02 -0.107639D+01
               256           257           258           259           260 
      1  -0.127274D+01 -0.634280D+01 -0.589839D+01 -0.142545D+01 -0.138399D+01
      2   0.480371D+01  0.266540D-01  0.894356D+01  0.599584D+01  0.996071D+01
      3  -0.492752D+01  0.238120D+02  0.941107D+00  0.105830D+01 -0.262050D+01
               261           262           263           264           265 
      1   0.775735D+01  0.188630D-01  0.565570D+00  0.850579D+00  0.110355D+01
      2  -0.146737D+02  0.144602D+01 -0.945608D+00  0.168490D+01 -0.151141D+01
      3  -0.714981D+01  0.351391D+01 -0.461311D+01  0.156293D+01 -0.767818D+01
               266           267           268           269           270 
      1  -0.394074D+01 -0.314663D+01 -0.383573D+00  0.429239D+00 -0.568753D+00
      2   0.468136D+01 -0.569587D+01  0.426628D+00 -0.156157D+01  0.176135D+01
      3   0.284551D+02 -0.567426D+01 -0.720482D+00  0.174176D+01  0.191126D+01
               271           272           273           274           275 
      1  -0.165951D+01 -0.777483D+00  0.487939D+00 -0.107615D+00 -0.212803D+01
      2   0.404936D+01  0.986975D-01 -0.220911D+01  0.124460D+01  0.309994D+01
      3   0.208237D+01  0.104389D+01  0.974832D+00  0.846246D+00  0.429903D+00
               276           277           278           279           280 
      1   0.212119D+01 -0.144839D+00  0.475763D+01 -0.103989D+02  0.844769D+00
      2  -0.557829D+01 -0.255361D+01 -0.248145D+01  0.242312D+02 -0.883435D+01
      3  -0.262331D+01  0.124134D+01 -0.459082D+01  0.284166D+01  0.140518D+02
               281           282           283           284           285 
      1   0.825697D+00 -0.201033D+01  0.903719D+00  0.544878D+00 -0.142608D-01
      2  -0.251706D+00  0.798732D+01 -0.831300D+00 -0.997644D+00 -0.109175D+01
      3  -0.643889D+01 -0.667046D+00 -0.370056D+01 -0.988437D+00  0.287400D+00
               286           287           288           289           290 
      1  -0.174870D+01  0.837910D+00 -0.120628D+00  0.107489D+01 -0.775655D+00
      2   0.402909D+01 -0.615535D+00 -0.470264D+00 -0.731685D+00 -0.190330D+01
      3  -0.112893D+01  0.158679D+01  0.190869D+01 -0.447607D+01  0.742183D+01
               291           292           293           294           295 
      1   0.150816D+01 -0.411783D+00  0.598367D+01 -0.377336D+01  0.672525D+00
      2  -0.156051D+01 -0.104733D+01  0.407581D+01  0.385915D+01 -0.165750D+01
      3   0.542773D+00  0.472654D+01 -0.324552D+02 -0.271189D+01 -0.728748D+00
               296           297 
      1  -0.286428D+00 -0.777008D-01
      2   0.235983D+01  0.149881D+01
      3   0.112060D+01 -0.252248D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.145815D+01 -0.861803D+01  0.232548D+02  0.165457D+02 -0.364857D+01
      2   0.566665D+01  0.365505D+01 -0.830747D+01 -0.386650D+01  0.432482D+01
      3  -0.420850D+01  0.496298D+01 -0.149473D+02 -0.126792D+02 -0.676248D+00
      4  -0.408051D+01  0.339077D+01 -0.798066D+00  0.910374D+01  0.437224D+01
      5   0.183013D+02  0.953791D+00 -0.767097D+01 -0.452031D+01 -0.284221D+01
      6   0.747614D+00 -0.371232D+01 -0.556161D+00 -0.979118D+00  0.382297D+01
                 6             7             8             9            10 
      1  -0.163154D+02 -0.247644D+02 -0.101449D+02  0.411065D+01  0.504351D+02
      2   0.145020D+01  0.344402D+01  0.185711D+01  0.405044D+01 -0.186710D+02
      3   0.148652D+02  0.213204D+02  0.828776D+01 -0.816109D+01 -0.317640D+02
      4  -0.409021D+01  0.289214D+01 -0.238843D+01 -0.524538D+01 -0.108344D+02
      5  -0.381754D+01  0.886197D+01 -0.438016D+01  0.612321D+01 -0.281297D+01
      6   0.126857D+02 -0.661919D+01  0.625826D+01  0.147615D+02  0.121539D+01
                11            12            13            14            15 
      1   0.801105D+01 -0.510552D+00  0.106810D+02 -0.559762D+00  0.599238D+01
      2  -0.708545D+01  0.277592D+01 -0.105830D+02  0.679198D+01 -0.994825D+00
      3  -0.925594D+00 -0.226537D+01 -0.979233D-01 -0.623222D+01 -0.499755D+01
      4   0.147561D+01 -0.337881D+01  0.175267D+02 -0.515265D+01 -0.131433D+01
      5  -0.395741D+01  0.673219D+01  0.108233D+02 -0.436506D+00 -0.238274D+01
      6   0.289574D-01 -0.685536D+01 -0.513740D+01  0.407760D+01  0.838517D+01
                16            17            18            19            20 
      1  -0.967685D+01  0.727345D+01 -0.182048D+02 -0.318820D+01  0.632431D+01
      2  -0.462295D+00  0.462884D+01  0.159170D+01 -0.699172D+00 -0.230081D+01
      3   0.101391D+02 -0.119023D+02  0.166131D+02  0.388737D+01 -0.402349D+01
      4   0.155103D+02 -0.163408D+00 -0.443255D+00  0.678983D+01 -0.194598D+01
      5  -0.154451D+02 -0.175011D+01 -0.406520D+01 -0.155961D+02  0.225535D+01
      6  -0.427541D+01  0.630403D+00 -0.537392D+01  0.228722D+01  0.520806D+01
                21            22            23            24            25 
      1  -0.278134D+02 -0.920538D+01 -0.557742D+01 -0.703410D+01  0.241957D+02
      2   0.717677D+01 -0.159889D+01  0.600726D+01  0.319842D+00 -0.175202D+01
      3   0.206366D+02  0.108043D+02 -0.429840D+00  0.671426D+01 -0.224437D+02
      4   0.216701D+01  0.321160D+01 -0.744581D+00  0.377899D+01  0.224380D+01
      5  -0.274505D+01  0.683879D+00  0.226557D+01  0.677142D+01  0.100939D+02
      6   0.597604D+01  0.178668D+01  0.317692D+01  0.867324D+01  0.109085D+02
                26            27            28            29            30 
      1  -0.907936D+01  0.823803D+01  0.175556D+02 -0.346849D+01  0.232591D+01
      2   0.163438D+01 -0.164831D+01 -0.538694D+01  0.702660D+01  0.523634D+00
      3   0.744498D+01 -0.658972D+01 -0.121687D+02 -0.355811D+01 -0.284954D+01
      4   0.433170D+01  0.693361D+01  0.176434D+02  0.250723D+01 -0.237471D+01
      5   0.550642D+01 -0.456065D+01  0.180971D+01 -0.176798D+01  0.787575D+01
      6   0.289039D+01  0.110829D+02  0.401825D+01 -0.101871D+01  0.514070D+01
                31            32            33            34            35 
      1  -0.288246D+01 -0.220252D+01  0.849379D+01 -0.922441D+01  0.950726D+01
      2   0.840392D+01  0.533657D+01 -0.241387D+01  0.274906D+01  0.329974D+01
      3  -0.552146D+01 -0.313405D+01 -0.607991D+01  0.647535D+01 -0.128070D+02
      4   0.150235D+02  0.114109D+01  0.162812D+01  0.119860D+02  0.528247D+01
      5   0.136866D+02 -0.245765D+00  0.216085D+01 -0.181593D+02  0.380860D+01
      6  -0.140051D+01  0.363637D+01  0.659126D+01 -0.110712D+01  0.750509D+00
                36            37            38            39            40 
      1  -0.212230D+02  0.115877D+02 -0.134999D+02  0.263799D+02  0.480603D+01
      2   0.381216D+01 -0.102401D+00  0.119938D+02 -0.127283D+02  0.388561D+01
      3   0.174108D+02 -0.114853D+02  0.150603D+01 -0.136516D+02 -0.869164D+01
      4   0.123263D+01 -0.861284D+01 -0.430801D+00  0.372003D+01  0.142922D+02
      5  -0.305050D+00  0.162674D+02  0.194158D+01 -0.927906D+01 -0.345911D+00
      6  -0.696034D+01 -0.113282D+01 -0.617400D+01  0.620259D+01 -0.400259D+00
                41            42            43            44            45 
      1  -0.125035D+02 -0.541772D+01 -0.180391D+02 -0.453073D+01  0.864787D+01
      2   0.186619D+02 -0.109070D+02  0.186303D+01 -0.351630D+01 -0.174290D+01
      3  -0.615845D+01  0.163247D+02  0.161761D+02  0.804703D+01 -0.690496D+01
      4   0.711463D+01 -0.273581D+01 -0.365098D+01 -0.229445D+01 -0.598841D+01
      5  -0.159294D+01 -0.278781D+01  0.106236D+02 -0.642232D+01  0.675692D+01
      6  -0.735849D+01  0.684784D+01 -0.107146D+02  0.166076D+01  0.810902D+01
                46            47            48            49            50 
      1  -0.110487D+02  0.111740D+02 -0.276149D+02 -0.651933D+01 -0.161344D+02
      2   0.322826D+01 -0.993285D+01  0.961386D+01 -0.528221D+01  0.224422D+02
      3   0.782048D+01 -0.124117D+01  0.180010D+02  0.118015D+02 -0.630780D+01
      4   0.876349D+01 -0.318540D+00  0.512892D+01  0.570057D+01 -0.674164D+01
      5  -0.161097D+02  0.476631D+01 -0.233063D+01  0.500227D+01  0.221657D+01
      6   0.382755D+01  0.611850D+01 -0.527742D+01  0.169285D+00 -0.641330D+01
                51            52            53            54            55 
      1   0.247226D+01  0.374765D+02 -0.402740D+01  0.904998D+01 -0.365308D+02
      2  -0.108533D+02 -0.903750D+01 -0.115808D+01 -0.467001D+01  0.119824D+02
      3   0.838105D+01 -0.284390D+02  0.518548D+01 -0.437997D+01  0.245484D+02
      4   0.175318D+01 -0.419502D+01  0.575866D+00  0.649941D+01  0.104088D+01
      5   0.604325D+01  0.546974D+01  0.660136D+01 -0.650265D+01 -0.425996D+01
      6   0.432995D+01  0.108046D+02 -0.212845D+01  0.760534D+01  0.275504D+01
                56            57            58            59            60 
      1  -0.887598D+01 -0.364668D+01 -0.389417D+02 -0.296726D+02 -0.414350D+01
      2   0.625554D+01 -0.134779D+01  0.269616D+02  0.417322D+01  0.497688D+01
      3   0.262044D+01  0.499447D+01  0.119801D+02  0.254994D+02 -0.833383D+00
      4  -0.245219D+02  0.262906D-01 -0.502304D+02  0.243851D+02 -0.132856D+02
      5  -0.545543D+00 -0.110350D+02 -0.418484D+01 -0.138397D+02  0.726009D+00
      6   0.467036D+00  0.148578D+01 -0.129149D+01  0.484428D+01 -0.230339D+00
                61            62            63            64            65 
      1  -0.292629D+02 -0.732626D+01 -0.834702D+01 -0.560912D+02  0.141554D+02
      2   0.421720D+01  0.690336D+01  0.121683D+02  0.349780D+02 -0.225190D+01
      3   0.250457D+02  0.422895D+00 -0.382129D+01  0.211133D+02 -0.119035D+02
      4  -0.496435D+01 -0.221904D+02  0.755471D+01  0.156415D+02  0.284696D+02
      5  -0.252078D+02  0.473369D+01  0.385873D+02 -0.263989D+01  0.314819D+01
      6   0.408524D+01 -0.190169D+01 -0.653477D+01  0.590660D+00 -0.250892D+01
                66            67            68            69            70 
      1  -0.319867D+01  0.513140D+02  0.500532D+02 -0.608602D+00  0.182697D+02
      2  -0.116185D+01 -0.215296D+02 -0.282027D+02  0.268288D+01 -0.673990D+01
      3   0.436052D+01 -0.297844D+02 -0.218505D+02 -0.207428D+01 -0.115298D+02
      4   0.246113D+01  0.460628D+02 -0.134796D+02  0.169872D+02  0.644986D+01
      5   0.180013D+02  0.793913D+01  0.195544D+02  0.179189D+01  0.355380D+02
      6   0.338895D+01  0.282605D+01  0.498608D+01 -0.104990D+01  0.289741D+01
                71            72            73            74            75 
      1   0.113239D+01  0.348380D+02  0.527493D+02 -0.527510D+01 -0.665148D+01
      2   0.457077D+01 -0.973999D+01 -0.358004D+02 -0.861999D+01 -0.902079D+00
      3  -0.570315D+01 -0.250980D+02 -0.169489D+02  0.138951D+02  0.755356D+01
      4   0.218507D+02  0.436218D+01 -0.228468D+01 -0.296097D+02 -0.752081D+01
      5   0.348871D+01 -0.542233D+02 -0.621216D+01 -0.567571D+01 -0.131044D+02
      6   0.429757D+01 -0.678331D+01 -0.662679D+01 -0.253415D+01 -0.947729D+01
                76            77            78            79            80 
      1  -0.907959D+01 -0.319691D+02  0.407761D+01 -0.113087D+02  0.349713D+01
      2  -0.797658D+01  0.127736D+02 -0.127175D+02 -0.208248D+01 -0.161309D+02
      3   0.170562D+02  0.191955D+02  0.863987D+01  0.133912D+02  0.126337D+02
      4  -0.348301D+02 -0.126974D+02 -0.214004D+02 -0.788774D+01 -0.307416D+02
      5  -0.621319D+01 -0.212149D+02 -0.704131D+01 -0.209598D+02 -0.138879D+02
      6  -0.517001D+01 -0.173775D+02 -0.367000D+01 -0.111206D+02 -0.832637D+01
                81            82            83            84            85 
      1  -0.963442D+01  0.670760D+02 -0.173928D+02 -0.268496D+01 -0.294793D+02
      2   0.916640D+01 -0.358561D+02  0.799838D+01 -0.943859D-02  0.134997D+02
      3   0.468018D+00 -0.312199D+02  0.939437D+01  0.269440D+01  0.159796D+02
      4  -0.190559D+02 -0.200867D+02 -0.383235D+02 -0.613377D+01 -0.593830D+02
      5   0.402032D+02 -0.578813D+01 -0.671831D+01 -0.325400D+02 -0.105480D+02
      6   0.199943D+02 -0.172353D+01 -0.505627D+01 -0.213964D+01 -0.973258D+01
                86            87            88            89            90 
      1  -0.521533D+02 -0.602668D+01 -0.121636D+02 -0.582380D+01 -0.450087D+02
      2   0.262131D+02  0.172055D+01  0.224038D+01  0.161315D+01  0.244324D+02
      3   0.259403D+02  0.430613D+01  0.992324D+01  0.421065D+01  0.205763D+02
      4   0.201336D+02 -0.423860D+02 -0.986929D+01 -0.411965D+02 -0.431681D+01
      5  -0.456531D+02 -0.305290D+01 -0.530634D+02 -0.310190D+01  0.490003D+02
      6   0.645070D-01 -0.514717D+01 -0.369208D+01 -0.568172D+01  0.170435D+01
                91            92            93            94            95 
      1   0.592231D+01 -0.206003D+01 -0.652497D+01 -0.465084D+01 -0.176379D+02
      2  -0.524458D+01 -0.193956D+01  0.106415D+01  0.592135D+01  0.873843D+01
      3  -0.677727D+00  0.399959D+01  0.546082D+01 -0.127051D+01  0.889945D+01
      4  -0.138301D+02 -0.167414D+02 -0.480346D+01 -0.383910D+02  0.166098D+02
      5  -0.173816D+02 -0.320488D+01 -0.111479D+02 -0.119897D+02 -0.661638D+01
      6  -0.585060D+00 -0.626923D+01 -0.697977D+01 -0.228788D+01  0.166292D+01
                96            97            98            99           100 
      1  -0.727432D+01 -0.184164D+02 -0.824598D+01 -0.512498D+01  0.674377D+01
      2   0.340017D+01  0.362358D+01 -0.127803D+01  0.606481D+01 -0.185051D+01
      3   0.387415D+01  0.147928D+02  0.952401D+01 -0.939830D+00 -0.489326D+01
      4  -0.663417D+01 -0.203152D+02 -0.717979D+01 -0.229482D+02  0.993429D+01
      5  -0.205574D+02 -0.204309D+02 -0.217045D+02  0.204198D+02  0.132519D+02
      6  -0.374949D+01 -0.100801D+02 -0.573866D+01  0.722342D+01 -0.600824D+01
               101           102           103           104           105 
      1   0.275298D+01  0.488870D+01  0.141416D+02  0.671754D+01  0.843917D+00
      2  -0.599255D+00 -0.353241D+01 -0.133123D+02 -0.989236D+00  0.412334D+01
      3  -0.215372D+01 -0.135629D+01 -0.829320D+00 -0.572830D+01 -0.496726D+01
      4   0.206771D+01 -0.454866D+01 -0.281387D+00 -0.115136D+02  0.953649D+01
      5  -0.585026D+01 -0.496574D+01 -0.128355D+02  0.115825D+02  0.339395D+02
      6   0.431543D+01  0.778022D+01  0.562639D+01 -0.108575D+02 -0.188168D+02
               106           107           108           109           110 
      1   0.168237D+02 -0.982968D+00 -0.114636D+01  0.211743D+02 -0.146366D+02
      2  -0.236592D+01 -0.753456D+01  0.383677D+01 -0.128794D+02  0.679949D+01
      3  -0.144578D+02  0.851753D+01 -0.269041D+01 -0.829493D+01  0.783708D+01
      4  -0.128908D+02  0.262025D+02  0.261946D+02 -0.206340D+02  0.172977D+02
      5  -0.228105D+02  0.271065D+02  0.191186D+02 -0.305932D+02  0.971188D+01
      6   0.140807D+02 -0.219892D+02 -0.124070D+02  0.114998D+02 -0.328174D+01
               111           112           113           114           115 
      1  -0.227573D+02 -0.143416D+02 -0.678915D+01 -0.596895D+01 -0.286470D+02
      2   0.147715D+02  0.431068D+01  0.158057D+02  0.377987D+01  0.173522D+02
      3   0.798587D+01  0.100310D+02 -0.901652D+01  0.218908D+01  0.112948D+02
      4   0.123684D+02  0.281813D+02 -0.340401D+02 -0.247815D+02  0.254290D+02
      5   0.226405D+02  0.189544D+02 -0.270092D+02 -0.294124D+02  0.388554D+02
      6  -0.554310D+01 -0.846027D+01  0.241310D+02  0.262946D+02 -0.148310D+02
               116           117           118           119           120 
      1  -0.422108D+01 -0.415727D+01  0.656147D+01 -0.290769D+01  0.122420D+02
      2   0.627550D+01 -0.158167D+02 -0.728202D+01  0.829281D+01 -0.814785D+01
      3  -0.205442D+01  0.199740D+02  0.720551D+00 -0.538512D+01 -0.409415D+01
      4  -0.334872D+02 -0.271974D+02  0.281263D+01 -0.972632D+01 -0.298569D+01
      5  -0.302127D+02 -0.690397D+02  0.108906D+02  0.135099D+01  0.742581D+01
      6   0.272997D+02  0.358210D+02 -0.346033D+01 -0.206339D+01 -0.152704D+01
               121           122           123           124           125 
      1   0.223830D+01 -0.690228D+01  0.355352D+01  0.177259D+02  0.117952D+01
      2   0.983414D+01 -0.154860D+02 -0.549862D+00 -0.985752D+01 -0.235438D+01
      3  -0.120724D+02  0.223883D+02 -0.300366D+01 -0.786836D+01  0.117486D+01
      4  -0.205254D+02  0.479055D+02  0.858223D+00 -0.973265D+01  0.110168D+02
      5   0.170644D+01  0.473666D+00 -0.226409D+01  0.174814D+02 -0.114528D+02
      6  -0.419384D+01  0.324153D+01  0.715245D+01 -0.464358D+01  0.133388D+02
               126           127           128           129           130 
      1  -0.105076D+01 -0.706048D+00 -0.920713D-01  0.361045D+01 -0.245985D+01
      2  -0.737091D+01 -0.546744D+01 -0.126187D+01  0.574505D+01 -0.519582D+00
      3   0.842167D+01  0.617349D+01  0.135394D+01 -0.935550D+01  0.297943D+01
      4  -0.106962D+02  0.872473D+00  0.248721D+01 -0.668290D+00  0.118859D+01
      5   0.315570D+02 -0.957093D+01 -0.251777D+01  0.122992D+02 -0.278077D+01
      6  -0.169732D+02  0.328698D+00 -0.166769D+01 -0.579801D+00 -0.101588D+01
               131           132           133           134           135 
      1  -0.314684D+01  0.759204D+01  0.380800D+01  0.470714D+01 -0.235030D+02
      2  -0.406019D+00  0.319300D+01  0.689754D+01  0.193147D+01 -0.146614D+02
      3   0.355286D+01 -0.107850D+02 -0.107055D+02 -0.663861D+01  0.381644D+02
      4   0.115339D+01 -0.123377D+01 -0.171605D+01 -0.305260D+01  0.176175D+01
      5  -0.258167D+01  0.438490D+01  0.122238D+02  0.403508D+01 -0.194519D+02
      6  -0.278532D+01  0.174656D+01  0.861566D+00  0.544954D+01 -0.239007D+01
               136           137           138           139           140 
      1   0.526655D+01 -0.177959D+01 -0.103829D+01 -0.215548D+01  0.302797D+00
      2  -0.550099D+01  0.829902D+00 -0.486660D+01  0.192127D+01 -0.338653D+00
      3   0.234436D+00  0.949685D+00  0.590489D+01  0.234203D+00  0.358557D-01
      4  -0.554025D+01  0.655881D+01 -0.680133D+00  0.632192D+01 -0.575251D+01
      5   0.119151D+02 -0.269633D+01  0.104944D+02 -0.455760D+01  0.306645D+01
      6  -0.106247D+01  0.219879D+01 -0.809852D+00  0.150602D+01 -0.317944D+01
               141           142           143           144           145 
      1   0.524025D+01 -0.412627D+01  0.472403D+01 -0.129341D+02 -0.255133D+01
      2   0.270400D+01 -0.624701D+01  0.124472D+01 -0.929778D+01 -0.272449D+01
      3  -0.794424D+01  0.103733D+02 -0.596875D+01  0.222318D+02  0.527582D+01
      4   0.104614D+01  0.619545D-01  0.187111D+01 -0.235852D+01  0.544618D+01
      5  -0.627674D+01  0.132682D+02 -0.430422D+01  0.167719D+02 -0.918677D+01
      6   0.185283D+01 -0.139862D+01  0.461904D+01 -0.343135D+01 -0.592595D+01
               146           147           148           149           150 
      1  -0.192665D+01  0.550352D+01 -0.252131D+01 -0.437278D+01  0.829915D+01
      2   0.373446D+00  0.281894D+01 -0.527694D+00  0.829980D+00  0.756890D+00
      3   0.155320D+01 -0.832246D+01  0.304901D+01  0.354280D+01 -0.905604D+01
      4   0.388134D+01 -0.543020D+01  0.233557D+01  0.170765D+01 -0.280721D+01
      5  -0.354690D+01  0.118137D+02 -0.350411D+01 -0.257134D+01  0.425989D+01
      6  -0.362879D+01  0.648397D+01 -0.302845D+01 -0.491197D+01  0.820847D+01
               151           152           153           154           155 
      1   0.744050D+01  0.106649D+02 -0.284633D+02  0.232650D+01  0.247147D+01
      2   0.208121D+01 -0.301541D+01 -0.526312D+01 -0.333804D+01 -0.208719D+01
      3  -0.952171D+01 -0.764946D+01  0.337264D+02  0.101153D+01 -0.384280D+00
      4  -0.571122D+01 -0.539189D+01  0.796991D+01 -0.101832D+02  0.717554D+01
      5   0.109117D+02  0.531992D+01 -0.173223D+02  0.151857D+02 -0.576647D+01
      6   0.844396D+01  0.126580D+02 -0.229696D+02 -0.871795D+01  0.569855D+01
               156           157           158           159           160 
      1  -0.219887D+01  0.222814D+00 -0.340291D+01  0.542670D+01 -0.412225D+01
      2  -0.239533D+01  0.110319D+01  0.152952D+01  0.376161D+00 -0.263561D+01
      3   0.459420D+01 -0.132601D+01  0.187339D+01 -0.580286D+01  0.675786D+01
      4  -0.811768D+01  0.493185D+01 -0.496578D+01  0.549049D+01 -0.857570D+01
      5   0.141438D+02 -0.707643D+01  0.469856D+01 -0.773480D+01  0.152261D+02
      6  -0.879060D+01  0.524176D+01 -0.570151D+01  0.821951D+01 -0.103295D+02
               161           162           163           164           165 
      1   0.805109D+01 -0.159958D+02  0.848295D+01  0.200749D+00 -0.739873D+01
      2  -0.355088D+01 -0.296312D+01 -0.798785D+01 -0.500868D+00  0.648643D+01
      3  -0.450022D+01  0.189589D+02 -0.495101D+00  0.300119D+00  0.912304D+00
      4   0.724489D+01 -0.106215D+02 -0.206322D+01  0.725683D+01  0.416958D+01
      5  -0.757304D+01  0.204659D+02 -0.136631D+02  0.279768D+01  0.150878D+02
      6   0.116112D+02 -0.184506D+02  0.217293D+01 -0.138661D+01 -0.214759D+01
               166           167           168           169           170 
      1   0.807255D+01  0.190964D+01 -0.180722D+01 -0.153436D+02 -0.283528D+01
      2  -0.511558D+01 -0.506016D+00  0.131663D+01  0.136319D+02  0.419456D+00
      3  -0.295696D+01 -0.140362D+01  0.490590D+00  0.171167D+01  0.241582D+01
      4   0.757649D+01 -0.354843D+01 -0.407789D+01  0.616351D+01 -0.875663D+01
      5  -0.681341D+00 -0.432404D+01  0.158570D+01  0.225031D+02 -0.845221D+01
      6  -0.148649D+01  0.121150D+01  0.509544D+01 -0.516652D+01  0.649732D+01
               171           172           173           174           175 
      1  -0.431669D+01  0.208525D+02 -0.886443D+01  0.395201D+01 -0.150740D+02
      2  -0.135077D+02 -0.413840D+01 -0.356224D+00 -0.940374D+00 -0.225068D+01
      3   0.178244D+02 -0.167141D+02  0.922065D+01 -0.301164D+01  0.173247D+02
      4  -0.112877D+02 -0.211310D+02  0.238282D+02 -0.195206D+01  0.348051D+02
      5  -0.442217D+02  0.512245D+01 -0.777410D+00  0.513593D+01 -0.177874D+01
      6   0.117211D+02 -0.151020D+01  0.483456D-01 -0.120702D+01  0.102327D+01
               176           177           178           179           180 
      1   0.651454D+00  0.331324D+00  0.197972D+02  0.106056D+01  0.166983D+01
      2   0.202077D+02 -0.271480D+01 -0.595000D+01 -0.464203D+01 -0.367894D+00
      3  -0.208591D+02  0.238348D+01 -0.138472D+02  0.358146D+01 -0.130193D+01
      4  -0.502966D+02  0.685112D+01 -0.974552D+01  0.166416D+02 -0.888794D+01
      5   0.627747D+01 -0.597172D+01  0.930859D+01 -0.767498D+01  0.276002D+01
      6  -0.207706D+01  0.472489D+01 -0.359121D+01  0.545650D+01 -0.240634D+01
               181           182           183           184           185 
      1  -0.126597D+01 -0.250322D+01  0.112925D+02 -0.819918D+01 -0.113867D+02
      2  -0.304096D+01  0.206693D+00 -0.292481D+01  0.343623D+01  0.540766D+01
      3   0.430693D+01  0.229653D+01 -0.836773D+01  0.476295D+01  0.597908D+01
      4  -0.428169D+01 -0.405047D+01  0.243267D+00 -0.313069D+01  0.102462D+01
      5   0.697326D+01 -0.223446D+00 -0.249189D+01  0.831475D+00  0.384912D+01
      6   0.138034D+01  0.778406D-01 -0.158109D+01 -0.512233D+00  0.138299D+00
               186           187           188           189           190 
      1  -0.729999D-01  0.207588D+02 -0.610830D+00 -0.234699D+02 -0.542482D+02
      2   0.829166D+00 -0.906494D+01  0.118927D+01 -0.858722D+01  0.311921D+02
      3  -0.756166D+00 -0.116938D+02 -0.578444D+00  0.320571D+02  0.230560D+02
      4   0.348378D+01  0.160252D+01  0.616370D+01 -0.163027D+01 -0.175259D+02
      5  -0.554070D+00 -0.148956D+00 -0.216727D+00  0.493447D+02  0.271422D+01
      6   0.666485D+01 -0.289688D+00  0.360131D+01  0.678682D+01  0.233537D+01
               191           192           193           194           195 
      1   0.142903D+02  0.187265D+01  0.659409D+01 -0.973933D+01 -0.719122D+00
      2  -0.147757D+02 -0.769517D+00 -0.740249D+01  0.905153D+01  0.153247D+01
      3   0.485434D+00 -0.110314D+01  0.808400D+00  0.687800D+00 -0.813346D+00
      4  -0.439192D+01  0.222658D+01  0.172578D+01 -0.687597D+00  0.194499D+01
      5   0.120647D+01 -0.167105D+01 -0.775885D-01  0.229727D+01  0.790531D+00
      6   0.389937D+00 -0.352535D+01  0.689307D+00  0.112294D+01  0.201645D+01
               196           197           198           199           200 
      1   0.342688D+01 -0.249377D+01 -0.501484D+01  0.269691D+01  0.154759D+01
      2  -0.114510D+01  0.316432D+01  0.189001D+01 -0.205262D+01  0.159663D+01
      3  -0.228177D+01 -0.670550D+00  0.312483D+01 -0.644294D+00 -0.314422D+01
      4   0.936066D+00  0.363446D+01  0.193119D+01  0.564260D+01  0.934215D+01
      5   0.141984D+01  0.288239D+01 -0.331815D+01 -0.101580D+02 -0.347497D+01
      6  -0.196859D+01  0.345513D+01 -0.135990D+01 -0.373971D+01 -0.201617D+01
               201           202           203           204           205 
      1  -0.672102D+01 -0.834242D+00 -0.346213D+00  0.241982D+01 -0.114828D+02
      2   0.537472D+01  0.241667D+01  0.182835D+01 -0.246015D+01  0.800704D+01
      3   0.134631D+01 -0.158243D+01 -0.148214D+01  0.403312D-01  0.347576D+01
      4  -0.543355D+01  0.601137D+01  0.615874D+01 -0.463042D+01 -0.923554D+01
      5   0.142110D+02 -0.402717D+00 -0.493481D+01  0.273240D+01  0.160065D+02
      6   0.548764D+01 -0.147827D+01 -0.274889D+01  0.736517D+01  0.737834D+01
               206           207           208           209           210 
      1   0.559755D+01 -0.621903D+01  0.128755D+02  0.877965D+01  0.520580D+01
      2  -0.561037D+01 -0.875819D+01  0.222737D+01  0.828832D+01  0.164480D+00
      3   0.128185D-01  0.149772D+02 -0.151028D+02 -0.170680D+02 -0.537028D+01
      4  -0.139225D+02  0.164937D+02  0.259580D+02  0.334145D+02  0.833534D+01
      5   0.141104D+02 -0.495276D+02  0.775011D+01  0.593006D+01  0.906796D+01
      6   0.124464D+02 -0.282294D+02  0.498324D+01  0.477318D+01  0.621207D+01
               211           212           213           214           215 
      1   0.891370D+01 -0.325710D+01 -0.117652D+01  0.951337D+01 -0.218644D+01
      2   0.838119D+01  0.319564D+02  0.793775D+01 -0.198456D+00  0.128215D+02
      3  -0.172949D+02 -0.286993D+02 -0.676123D+01 -0.931492D+01 -0.106351D+02
      4   0.332432D+02  0.561300D+02  0.150589D+02  0.160929D+02  0.275905D+02
      5   0.639459D+01  0.136086D+02  0.105111D+02  0.110599D+02  0.137076D+02
      6   0.541574D+01  0.122230D+02  0.101168D+02  0.733759D+01  0.122293D+02
               216           217           218           219           220 
      1   0.109673D+01  0.251303D+02  0.108156D+01 -0.189975D+02  0.318045D+01
      2   0.244446D+01 -0.147327D+02 -0.344344D+00  0.106357D+02 -0.127916D+01
      3  -0.354119D+01 -0.103976D+02 -0.737218D+00  0.836178D+01 -0.190129D+01
      4   0.156075D+02  0.194624D+01  0.852376D+01  0.360544D+00  0.140561D+02
      5   0.876485D+01 -0.195983D+02  0.788591D+00  0.234866D+02  0.134508D+00
      6   0.796195D+01 -0.414822D+00  0.308016D+00  0.462482D+00 -0.793650D+00
               221           222           223           224           225 
      1   0.970030D+01  0.653753D+00 -0.501259D+02  0.179342D+01  0.296185D+02
      2  -0.485497D+01 -0.611857D+00  0.292225D+02 -0.156748D+01 -0.232726D+02
      3  -0.484533D+01 -0.418962D-01  0.209034D+02 -0.225945D+00 -0.634593D+01
      4  -0.153325D+01 -0.422162D+01 -0.949645D-01 -0.113476D+02  0.674647D+00
      5  -0.396011D+01  0.968093D+00  0.428097D+02 -0.355741D+00 -0.691747D+02
      6  -0.537715D+00  0.405894D+01  0.175219D+01  0.415159D+01 -0.235704D+01
               226           227           228           229           230 
      1   0.243196D+02 -0.190384D+02  0.975329D+01 -0.435818D+02  0.291045D+02
      2  -0.117764D+02  0.917818D+01 -0.535647D+01  0.215529D+02 -0.974302D+01
      3  -0.125433D+02  0.986020D+01 -0.439683D+01  0.220289D+02 -0.193615D+02
      4  -0.195127D+02  0.230404D+02 -0.680091D+01  0.399773D+02 -0.621838D+02
      5   0.114664D+02 -0.763701D+01  0.118365D+02 -0.149342D+02  0.239640D+02
      6  -0.250991D+01  0.196717D+01 -0.932704D+00  0.448518D+01 -0.714259D+01
               231           232           233           234           235 
      1  -0.902058D+01  0.211092D+02 -0.787522D+01  0.134159D+02  0.551313D+02
      2   0.582271D+01 -0.118658D+02  0.501116D+01 -0.978138D+01 -0.265587D+02
      3   0.319787D+01 -0.924336D+01  0.286406D+01 -0.363450D+01 -0.285726D+02
      4   0.223896D+02 -0.116400D+02  0.246439D+02 -0.139975D+02  0.317597D+02
      5  -0.198852D+02  0.209819D+02 -0.152746D+02  0.136886D+02  0.233239D+02
      6   0.583729D+01 -0.224599D+01  0.611916D+01 -0.417061D+01  0.522619D+01
               236           237           238           239           240 
      1   0.261678D+02  0.182289D+02  0.561694D+02  0.288099D+02  0.133264D+02
      2  -0.116218D+02 -0.981782D+01 -0.251135D+02 -0.814679D+01 -0.678741D+01
      3  -0.145460D+02 -0.841107D+01 -0.310559D+02 -0.206631D+02 -0.653904D+01
      4   0.274610D+02  0.119347D+02  0.451593D+02  0.424422D+02  0.215013D+02
      5   0.124371D+02  0.199835D+02  0.221579D+02  0.221512D+02  0.210819D+02
      6   0.320190D+01  0.293994D+01  0.696913D+01  0.734766D+01  0.667041D+01
               241           242           243           244           245 
      1   0.358154D+02  0.116874D+02  0.201038D+02  0.218449D+01  0.376414D+01
      2  -0.192140D+02 -0.559464D+01 -0.132430D+02 -0.359337D+01 -0.199063D+01
      3  -0.166014D+02 -0.609272D+01 -0.686083D+01  0.140888D+01 -0.177351D+01
      4   0.191893D+02  0.238721D+02  0.157989D+02  0.623316D+01  0.709579D+01
      5   0.317750D+02  0.162843D+02  0.202503D+02 -0.105019D+02 -0.260865D+01
      6   0.579356D+01  0.672444D+01  0.589977D+01 -0.434977D+01 -0.555498D+00
               246           247           248           249           250 
      1  -0.607688D+01  0.446553D+01 -0.546879D-01  0.203900D+01 -0.847616D+01
      2   0.446329D+01 -0.205491D+01  0.129127D+01 -0.148181D+01  0.749961D+01
      3   0.161359D+01 -0.241062D+01 -0.123658D+01 -0.557185D+00  0.976546D+00
      4  -0.347748D+01  0.106271D+02  0.704007D+01 -0.742748D+01 -0.606845D+01
      5   0.116620D+02 -0.363459D+01 -0.762369D+01  0.111037D+02  0.161598D+02
      6   0.247161D+01 -0.207167D+01 -0.599324D+01  0.805474D+01  0.423752D+01
               251           252           253           254           255 
      1   0.232902D+01 -0.432943D+01 -0.825963D+02 -0.846807D+01  0.679107D+01
      2   0.564182D+00 -0.915203D+01  0.410038D+02  0.124678D+02 -0.491991D+01
      3  -0.289320D+01  0.134815D+02  0.415925D+02 -0.399971D+01 -0.187116D+01
      4  -0.109677D+02  0.110724D+02 -0.126992D+02  0.251329D+02  0.109087D+02
      5   0.985871D+01 -0.348144D+02  0.106698D+02  0.799694D+01  0.146572D+02
      6   0.768800D+01 -0.127658D+02  0.844124D+01  0.646509D+01  0.538940D+01
               256           257           258           259           260 
      1   0.111838D+02  0.359451D+02  0.308766D+01  0.278885D+02  0.332681D+01
      2  -0.143650D+01 -0.385776D+02 -0.721383D+01 -0.120604D+02 -0.307402D+01
      3  -0.974732D+01  0.263248D+01  0.412617D+01 -0.158281D+02 -0.252798D+00
      4   0.284129D+02 -0.254033D+02  0.593820D+01  0.209173D+02  0.153723D+02
      5   0.124458D+02  0.866822D+01  0.189322D+02  0.208820D+02  0.207290D+02
      6   0.715484D+01 -0.381338D+01  0.647377D+01  0.911950D+01  0.880481D+01
               261           262           263           264           265 
      1   0.151208D+02  0.829092D+01 -0.934394D+01  0.278925D+01 -0.853324D+01
      2   0.603057D+01  0.135871D+01 -0.946451D+00 -0.205329D+00 -0.797528D+01
      3  -0.211514D+02 -0.964963D+01  0.102904D+02 -0.258392D+01  0.165085D+02
      4   0.240701D+02 -0.158570D+02  0.194091D+02 -0.430783D+01  0.312521D+02
      5  -0.176101D+02  0.560580D+01 -0.466471D+01  0.407951D+01 -0.814256D+01
      6  -0.240495D+01 -0.339593D+01  0.321177D+01 -0.159905D+01  0.607688D+01
               266           267           268           269           270 
      1  -0.237454D+01  0.230226D-01  0.370623D+00  0.117973D+01 -0.472935D+00
      2   0.318784D+02 -0.519248D+01 -0.208968D+01  0.346699D+01  0.130363D+01
      3  -0.295039D+02  0.516946D+01  0.171906D+01 -0.464672D+01 -0.830699D+00
      4  -0.639144D+02  0.131919D+02  0.204290D+01 -0.408777D+01 -0.443823D+01
      5   0.142288D+02 -0.112852D+02  0.328198D+01 -0.448613D+01  0.453550D+01
      6  -0.138960D+02  0.775040D+01 -0.194746D+01  0.460506D+01 -0.286880D+01
               271           272           273           274           275 
      1   0.609273D+01  0.289552D-01  0.517480D+01 -0.676663D+01 -0.576141D+01
      2  -0.545732D+01 -0.108340D+01 -0.185065D+01  0.346307D+01  0.282603D+01
      3  -0.635407D+00  0.105444D+01 -0.332415D+01  0.330357D+01  0.293539D+01
      4  -0.922160D+00 -0.331919D+01 -0.481633D+00 -0.325791D+01 -0.211386D+01
      5   0.273372D+01 -0.172060D+01 -0.410889D+00 -0.457844D+01  0.335258D+01
      6  -0.516110D+00 -0.160174D+01 -0.127101D+01 -0.980918D+00 -0.318607D+00
               276           277           278           279           280 
      1  -0.224457D+00  0.109319D+02 -0.141869D+00 -0.115758D+02  0.129108D+03
      2   0.494734D+01 -0.720506D+01  0.459884D+01 -0.157726D+02 -0.609374D+02
      3  -0.472288D+01 -0.372683D+01 -0.445697D+01  0.273484D+02 -0.681708D+02
      4   0.364857D+01  0.476911D+01  0.936172D+01 -0.374051D+01  0.436277D+02
      5  -0.100404D+02  0.102681D+02 -0.277315D+01  0.434605D+02  0.113676D+02
      6   0.736504D+00  0.156131D+01  0.367842D+01  0.124868D+02 -0.563928D-01
               281           282           283           284           285 
      1   0.115426D+02 -0.494300D+00 -0.400953D+01  0.664028D+01 -0.305338D+00
      2  -0.188414D+01 -0.759984D+00  0.468551D+01  0.838983D-01  0.627299D+00
      3  -0.965847D+01  0.125428D+01 -0.675974D+00 -0.672418D+01 -0.321962D+00
      4   0.190672D+02  0.125662D+01  0.128073D+02  0.660345D+01 -0.894998D+00
      5   0.187715D+01  0.135439D+02 -0.105707D+01 -0.597328D+00 -0.197473D+01
      6   0.191702D+01  0.388326D+01  0.526764D+00  0.620766D+00  0.287170D+00
               286           287           288           289           290 
      1  -0.160545D+02 -0.177714D+01  0.854081D+01  0.105931D+01  0.137388D+02
      2   0.645860D+01 -0.350636D-01 -0.635315D+01  0.247263D+01 -0.140204D+02
      3   0.959589D+01  0.181220D+01 -0.218767D+01 -0.353194D+01  0.281657D+00
      4  -0.695181D+01 -0.454850D+01  0.135252D+01  0.392793D+01 -0.718041D+01
      5   0.117976D+02 -0.398976D+00 -0.402421D+00 -0.172204D+01 -0.640691D+00
      6   0.315803D+01  0.706157D+00 -0.474547D+00 -0.735702D-01 -0.292036D+01
               291           292           293           294           295 
      1   0.468379D+00  0.120663D+02 -0.324570D+02 -0.320175D+01 -0.381975D+01
      2  -0.373185D+00 -0.467203D+01  0.535224D+02  0.329085D+01  0.983089D+00
      3  -0.951943D-01 -0.739430D+01 -0.210654D+02 -0.890992D-01  0.283666D+01
      4  -0.224626D+01  0.109493D+02  0.588074D+02  0.638842D+01 -0.304132D+01
      5  -0.278816D+01  0.308353D+01  0.378883D+01  0.725565D+01 -0.128335D+00
      6  -0.250484D+01  0.477795D+00  0.119711D+02  0.782089D+01 -0.438350D+00
               296           297 
      1  -0.852994D+00 -0.559072D+01
      2  -0.157734D+01  0.384657D+01
      3   0.243033D+01  0.174416D+01
      4  -0.393945D+01  0.334404D+01
      5   0.421006D+01  0.228535D+01
      6   0.646153D+01  0.132035D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 16:54:03 2021, MaxMem=  6442450944 cpu:          116276.2 elap:           14540.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32468 -19.26520 -10.43575 -10.32356 -10.31275
 Alpha  occ. eigenvalues --  -10.30692 -10.30199 -10.30060 -10.30058 -10.29927
 Alpha  occ. eigenvalues --  -10.29919 -10.29772 -10.29440 -10.28353 -10.27935
 Alpha  occ. eigenvalues --   -1.22122  -1.12886  -0.97530  -0.92838  -0.90262
 Alpha  occ. eigenvalues --   -0.85203  -0.84836  -0.78460  -0.78220  -0.76411
 Alpha  occ. eigenvalues --   -0.71922  -0.70093  -0.67546  -0.65462  -0.60735
 Alpha  occ. eigenvalues --   -0.58818  -0.57317  -0.56953  -0.55160  -0.54259
 Alpha  occ. eigenvalues --   -0.53404  -0.52845  -0.51985  -0.50769  -0.50618
 Alpha  occ. eigenvalues --   -0.49309  -0.47618  -0.46967  -0.46816  -0.45693
 Alpha  occ. eigenvalues --   -0.45056  -0.44530  -0.43073  -0.41936  -0.41437
 Alpha  occ. eigenvalues --   -0.41360  -0.40550  -0.40157  -0.36790  -0.33391
 Alpha  occ. eigenvalues --   -0.31587
 Alpha virt. eigenvalues --    0.03369   0.03580   0.04129   0.04294   0.04949
 Alpha virt. eigenvalues --    0.05038   0.05193   0.05291   0.05765   0.06281
 Alpha virt. eigenvalues --    0.06824   0.07189   0.07333   0.07732   0.07966
 Alpha virt. eigenvalues --    0.08668   0.09283   0.09437   0.09776   0.09979
 Alpha virt. eigenvalues --    0.11173   0.11491   0.12023   0.12379   0.12715
 Alpha virt. eigenvalues --    0.12987   0.13482   0.13831   0.14211   0.14356
 Alpha virt. eigenvalues --    0.14818   0.15282   0.15357   0.15498   0.15827
 Alpha virt. eigenvalues --    0.15913   0.16209   0.16513   0.17167   0.17564
 Alpha virt. eigenvalues --    0.17822   0.17924   0.18420   0.18727   0.18863
 Alpha virt. eigenvalues --    0.19164   0.19792   0.20068   0.20313   0.20654
 Alpha virt. eigenvalues --    0.21183   0.21507   0.22043   0.22179   0.22563
 Alpha virt. eigenvalues --    0.22931   0.23239   0.23932   0.24501   0.24797
 Alpha virt. eigenvalues --    0.25070   0.25364   0.25521   0.26132   0.26248
 Alpha virt. eigenvalues --    0.26492   0.26803   0.27774   0.28540   0.28949
 Alpha virt. eigenvalues --    0.29022   0.29267   0.29478   0.29601   0.30045
 Alpha virt. eigenvalues --    0.30435   0.30656   0.30956   0.31297   0.31701
 Alpha virt. eigenvalues --    0.31954   0.32204   0.32374   0.32683   0.33194
 Alpha virt. eigenvalues --    0.33561   0.34602   0.34763   0.35095   0.35411
 Alpha virt. eigenvalues --    0.36106   0.36164   0.36702   0.36945   0.37200
 Alpha virt. eigenvalues --    0.37806   0.38262   0.38801   0.39663   0.40026
 Alpha virt. eigenvalues --    0.40194   0.40980   0.41026   0.41484   0.42163
 Alpha virt. eigenvalues --    0.42280   0.42831   0.42927   0.43351   0.43732
 Alpha virt. eigenvalues --    0.44173   0.44636   0.44795   0.45045   0.45164
 Alpha virt. eigenvalues --    0.45736   0.46289   0.46359   0.46766   0.47045
 Alpha virt. eigenvalues --    0.47527   0.47867   0.48396   0.49587   0.50119
 Alpha virt. eigenvalues --    0.50240   0.50756   0.51360   0.52016   0.52400
 Alpha virt. eigenvalues --    0.52599   0.53273   0.53569   0.54295   0.54693
 Alpha virt. eigenvalues --    0.54974   0.55061   0.55984   0.56164   0.56324
 Alpha virt. eigenvalues --    0.57042   0.57540   0.58185   0.58711   0.59062
 Alpha virt. eigenvalues --    0.59396   0.59750   0.60368   0.60704   0.61503
 Alpha virt. eigenvalues --    0.61670   0.62161   0.62826   0.63067   0.63727
 Alpha virt. eigenvalues --    0.64245   0.64407   0.64756   0.65269   0.65680
 Alpha virt. eigenvalues --    0.65944   0.66296   0.66556   0.67347   0.67970
 Alpha virt. eigenvalues --    0.68293   0.68700   0.69316   0.69561   0.69583
 Alpha virt. eigenvalues --    0.70364   0.70557   0.71027   0.71484   0.72012
 Alpha virt. eigenvalues --    0.72122   0.72677   0.72895   0.73294   0.73999
 Alpha virt. eigenvalues --    0.74543   0.74790   0.74975   0.75739   0.76068
 Alpha virt. eigenvalues --    0.76700   0.77167   0.77565   0.77763   0.78138
 Alpha virt. eigenvalues --    0.78435   0.79400   0.79608   0.80595   0.80844
 Alpha virt. eigenvalues --    0.81430   0.81936   0.82123   0.82616   0.83937
 Alpha virt. eigenvalues --    0.84358   0.84417   0.85077   0.85303   0.85903
 Alpha virt. eigenvalues --    0.86274   0.86754   0.87571   0.87728   0.88163
 Alpha virt. eigenvalues --    0.89018   0.89298   0.90165   0.90417   0.90893
 Alpha virt. eigenvalues --    0.91439   0.91920   0.92705   0.93237   0.93858
 Alpha virt. eigenvalues --    0.94182   0.95085   0.95906   0.96398   0.97539
 Alpha virt. eigenvalues --    0.98481   0.98528   0.99316   1.00291   1.01180
 Alpha virt. eigenvalues --    1.02110   1.02475   1.03183   1.03441   1.04115
 Alpha virt. eigenvalues --    1.05605   1.06677   1.07276   1.08251   1.09085
 Alpha virt. eigenvalues --    1.10389   1.11087   1.11395   1.12479   1.13328
 Alpha virt. eigenvalues --    1.14214   1.14711   1.15720   1.16071   1.17465
 Alpha virt. eigenvalues --    1.18571   1.19821   1.20887   1.22223   1.22568
 Alpha virt. eigenvalues --    1.23554   1.24075   1.24907   1.25377   1.26380
 Alpha virt. eigenvalues --    1.27992   1.28396   1.29342   1.29838   1.30517
 Alpha virt. eigenvalues --    1.31796   1.34305   1.34474   1.35512   1.37766
 Alpha virt. eigenvalues --    1.39320   1.42011   1.42552   1.42885   1.43609
 Alpha virt. eigenvalues --    1.44827   1.45988   1.46330   1.47149   1.47677
 Alpha virt. eigenvalues --    1.48381   1.50680   1.52200   1.52787   1.53925
 Alpha virt. eigenvalues --    1.55104   1.55418   1.55737   1.56026   1.57175
 Alpha virt. eigenvalues --    1.58496   1.59270   1.60505   1.61130   1.61854
 Alpha virt. eigenvalues --    1.62677   1.64194   1.64437   1.65351   1.66339
 Alpha virt. eigenvalues --    1.66694   1.67434   1.68525   1.69597   1.70021
 Alpha virt. eigenvalues --    1.70887   1.71513   1.72738   1.73885   1.75248
 Alpha virt. eigenvalues --    1.75454   1.76998   1.77711   1.78526   1.78723
 Alpha virt. eigenvalues --    1.79218   1.80151   1.80605   1.81637   1.81808
 Alpha virt. eigenvalues --    1.82923   1.83460   1.84469   1.85058   1.86700
 Alpha virt. eigenvalues --    1.87160   1.87320   1.88442   1.89821   1.90775
 Alpha virt. eigenvalues --    1.91040   1.92184   1.94105   1.94421   1.95792
 Alpha virt. eigenvalues --    1.95951   1.96316   1.98197   1.98735   1.99388
 Alpha virt. eigenvalues --    1.99779   2.00264   2.00865   2.01916   2.02598
 Alpha virt. eigenvalues --    2.03907   2.04654   2.06185   2.06718   2.07355
 Alpha virt. eigenvalues --    2.07884   2.08573   2.09292   2.10920   2.12321
 Alpha virt. eigenvalues --    2.12418   2.13353   2.14350   2.15407   2.16734
 Alpha virt. eigenvalues --    2.17452   2.18928   2.19383   2.19621   2.19991
 Alpha virt. eigenvalues --    2.21285   2.22763   2.23309   2.24326   2.25263
 Alpha virt. eigenvalues --    2.26008   2.26973   2.27699   2.30544   2.30666
 Alpha virt. eigenvalues --    2.31681   2.32184   2.34038   2.34652   2.36687
 Alpha virt. eigenvalues --    2.37013   2.37934   2.38871   2.39798   2.40385
 Alpha virt. eigenvalues --    2.40719   2.41148   2.42808   2.43649   2.45865
 Alpha virt. eigenvalues --    2.47251   2.47907   2.48313   2.51546   2.54244
 Alpha virt. eigenvalues --    2.54927   2.56755   2.57174   2.58297   2.58848
 Alpha virt. eigenvalues --    2.60326   2.62267   2.64128   2.66650   2.67459
 Alpha virt. eigenvalues --    2.68591   2.69278   2.69969   2.70985   2.73257
 Alpha virt. eigenvalues --    2.76451   2.76966   2.78869   2.79645   2.80610
 Alpha virt. eigenvalues --    2.81796   2.84130   2.86394   2.88161   2.90486
 Alpha virt. eigenvalues --    2.93339   2.95231   2.97247   2.98951   3.00969
 Alpha virt. eigenvalues --    3.04489   3.12810   3.15651   3.16455   3.19118
 Alpha virt. eigenvalues --    3.21235   3.28008   3.36077   3.42596   3.43880
 Alpha virt. eigenvalues --    3.47578   3.48623   3.51890   3.54586   3.56095
 Alpha virt. eigenvalues --    3.58163   3.61907   3.67117   3.73222   3.77672
 Alpha virt. eigenvalues --    3.82727   3.93457   4.01899   4.15715   4.85867
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   42.770644 -15.097219 -19.425735   9.324291 -10.678574   3.082421
     2  C  -15.097219  26.585579   9.791464  -9.512836   3.369528  -9.435506
     3  C  -19.425735   9.791464  42.846552 -13.965852   2.892500 -10.422853
     4  C    9.324291  -9.512836 -13.965852  29.067474  -9.690810   3.234043
     5  C  -10.678574   3.369528   2.892500  -9.690810  35.271329 -13.861895
     6  C    3.082421  -9.435506 -10.422853   3.234043 -13.861895  34.439806
     7  C   -2.853581  -1.020957   0.240048  -1.306595   0.433886  -0.284313
     8  C   -0.575543   0.217754   0.014056  -0.160009   0.100278  -0.203545
     9  C    0.403167  -0.212104  -0.119153   0.028164  -0.148850  -0.074423
    10  C   -0.107858  -0.033761  -0.005208   0.002226   0.062767   0.024094
    11  C    0.460539  -1.007852  -2.990905  -4.449276  -0.314749   0.553544
    12  C    0.155322  -0.087175  -0.744109   0.215301  -0.430404  -0.044631
    13  O   -0.018933   0.001548  -0.004795   0.119882   0.020641   0.026403
    14  O   -0.106913   0.020110   0.196483   0.171816   0.032203  -0.016243
    15  H   -4.847787   2.493181   1.888519  -1.212105   0.195426   0.187035
    16  H    2.139377  -0.850297  -4.609999   1.451919   0.196279   0.019076
    17  H    0.012414  -0.313482  -0.251560   1.061495  -3.566608   1.962559
    18  H   -0.310935   0.656986   0.045685  -0.142092   2.091495  -3.170952
    19  H    0.885330  -0.265141   0.248904   0.157656  -0.228061  -0.541474
    20  H   -0.083635  -0.342405  -0.115088   0.057279   0.189076   0.396667
    21  H    0.074165  -0.014099   0.078175   0.049956   0.032331   0.014032
    22  H    0.037594  -0.026381  -0.078805   0.029347   0.031553   0.004624
    23  H    0.120283   0.002367   0.034260   0.020255  -0.001996  -0.018054
    24  H   -0.075198   0.037260   0.014852  -0.015492   0.015748  -0.003630
    25  H   -0.002607   0.050601   0.018792   0.000092   0.002892   0.018281
    26  H   -0.001892   0.184395  -0.004953   0.012097   0.014760  -0.005268
    27  H    0.006284  -0.119469  -0.007017  -0.004007  -0.007101  -0.013884
    28  H   -0.000999   0.018155  -0.021832   0.742419  -0.076628  -0.055930
    29  C    0.010545  -0.192745  -0.357271  -0.421320  -0.007346   0.026448
    30  H    0.011998  -0.006208  -0.027653  -0.031412  -0.007322   0.009017
    31  H    0.041684  -0.140289  -0.445669  -0.089703   0.063112   0.099239
    32  H   -0.025285   0.074323   0.251959   0.909895  -0.203548  -0.074384
    33  H    0.041022  -0.069572  -0.095175  -0.515772   0.137858   0.086624
               7          8          9         10         11         12
     1  C   -2.853581  -0.575543   0.403167  -0.107858   0.460539   0.155322
     2  C   -1.020957   0.217754  -0.212104  -0.033761  -1.007852  -0.087175
     3  C    0.240048   0.014056  -0.119153  -0.005208  -2.990905  -0.744109
     4  C   -1.306595  -0.160009   0.028164   0.002226  -4.449276   0.215301
     5  C    0.433886   0.100278  -0.148850   0.062767  -0.314749  -0.430404
     6  C   -0.284313  -0.203545  -0.074423   0.024094   0.553544  -0.044631
     7  C   12.061004  -0.501575   0.202746   0.121842  -0.432460  -0.019787
     8  C   -0.501575   9.004726  -0.311245  -0.106501  -0.006520   0.007822
     9  C    0.202746  -0.311245   4.759752  -0.233354  -0.013071  -0.005026
    10  C    0.121842  -0.106501  -0.233354   4.980564  -0.006466   0.001046
    11  C   -0.432460  -0.006520  -0.013071  -0.006466  16.731286  -1.301112
    12  C   -0.019787   0.007822  -0.005026   0.001046  -1.301112   7.178116
    13  O    0.002195  -0.000481   0.000425   0.000013  -0.019131   0.088643
    14  O   -0.002195   0.000544  -0.000463   0.000039  -0.559419  -0.005274
    15  H    0.117170   0.026623  -0.026613   0.011435  -0.043645   0.017972
    16  H    0.086753   0.004573   0.003952   0.000123   0.122093   0.109794
    17  H    0.112370  -0.012709   0.001438   0.000148   0.010012   0.009526
    18  H   -0.360747   0.030050  -0.028016   0.024582   0.115425   0.002271
    19  H   -0.904222   0.043488  -0.009752  -0.100807   0.001276  -0.004734
    20  H   -0.568342   0.112841   0.043950  -0.055049  -0.017461   0.001948
    21  H   -0.109709  -1.439328   0.162359  -0.116993   0.007403   0.000741
    22  H   -0.096653   0.312761   0.181686  -0.111147  -0.012650   0.000951
    23  H   -0.297229   0.012196   0.187538  -0.072286   0.000934  -0.000101
    24  H    0.098476  -0.078253   0.126113   0.080976   0.001457  -0.000242
    25  H   -0.020827  -0.244428  -0.078504   0.405020  -0.000235   0.000225
    26  H   -0.209667   0.232845  -0.051333   0.129426   0.001408   0.000022
    27  H    0.079319   0.241948   0.054367   0.064394  -0.001193  -0.000007
    28  H   -0.012639   0.003327  -0.001269  -0.000453  -1.829639   0.175791
    29  C   -0.059784  -0.004819  -0.000198   0.000187   0.679688   0.089855
    30  H   -0.000236   0.000140  -0.000112   0.000038   0.170573  -0.167217
    31  H   -0.013008  -0.000351  -0.000266  -0.000015   0.145607   0.043733
    32  H    0.002556  -0.000442   0.000089  -0.000023  -0.726219  -0.055605
    33  H   -0.012966   0.000359  -0.000034   0.000077   0.486014   0.003030
              13         14         15         16         17         18
     1  C   -0.018933  -0.106913  -4.847787   2.139377   0.012414  -0.310935
     2  C    0.001548   0.020110   2.493181  -0.850297  -0.313482   0.656986
     3  C   -0.004795   0.196483   1.888519  -4.609999  -0.251560   0.045685
     4  C    0.119882   0.171816  -1.212105   1.451919   1.061495  -0.142092
     5  C    0.020641   0.032203   0.195426   0.196279  -3.566608   2.091495
     6  C    0.026403  -0.016243   0.187035   0.019076   1.962559  -3.170952
     7  C    0.002195  -0.002195   0.117170   0.086753   0.112370  -0.360747
     8  C   -0.000481   0.000544   0.026623   0.004573  -0.012709   0.030050
     9  C    0.000425  -0.000463  -0.026613   0.003952   0.001438  -0.028016
    10  C    0.000013   0.000039   0.011435   0.000123   0.000148   0.024582
    11  C   -0.019131  -0.559419  -0.043645   0.122093   0.010012   0.115425
    12  C    0.088643  -0.005274   0.017972   0.109794   0.009526   0.002271
    13  O    8.372783  -0.024178  -0.000331  -0.011505   0.003028  -0.000299
    14  O   -0.024178   8.429933  -0.001164  -0.079141   0.007175  -0.000906
    15  H   -0.000331  -0.001164   3.723330  -0.350365   0.023131  -0.051407
    16  H   -0.011505  -0.079141  -0.350365   4.003165  -0.056025   0.018595
    17  H    0.003028   0.007175   0.023131  -0.056025   3.375898  -0.308784
    18  H   -0.000299  -0.000906  -0.051407   0.018595  -0.308784   3.415439
    19  H    0.000193  -0.000171  -0.128711   0.005919  -0.006124   0.024279
    20  H    0.000042   0.000031   0.036517  -0.007418   0.009918  -0.061956
    21  H   -0.000286   0.000121   0.002816   0.000820  -0.000710  -0.049026
    22  H    0.000293  -0.000095  -0.010353   0.001480  -0.001201   0.010300
    23  H   -0.000006   0.000104  -0.008681  -0.000928   0.000511  -0.006438
    24  H    0.000062  -0.000119   0.003464   0.000286  -0.000428   0.000042
    25  H   -0.000005   0.000006   0.009652  -0.000347  -0.000145   0.002455
    26  H    0.000002   0.000000  -0.000705   0.000151  -0.000121   0.011753
    27  H    0.000003   0.000008  -0.002625   0.000001   0.000191  -0.004054
    28  H    0.043419   0.067262  -0.000321  -0.012829  -0.144552   0.004011
    29  C   -0.007079   0.057572   0.006006  -0.060401   0.021080   0.010749
    30  H   -0.022157   0.312537   0.001079   0.007466  -0.000545   0.000017
    31  H    0.000060   0.027132   0.005483  -0.092282   0.000561   0.001009
    32  H    0.006108   0.016513  -0.002647   0.018320   0.007252  -0.000366
    33  H   -0.000267   0.011231   0.002303  -0.013253  -0.002316   0.001669
              19         20         21         22         23         24
     1  C    0.885330  -0.083635   0.074165   0.037594   0.120283  -0.075198
     2  C   -0.265141  -0.342405  -0.014099  -0.026381   0.002367   0.037260
     3  C    0.248904  -0.115088   0.078175  -0.078805   0.034260   0.014852
     4  C    0.157656   0.057279   0.049956   0.029347   0.020255  -0.015492
     5  C   -0.228061   0.189076   0.032331   0.031553  -0.001996   0.015748
     6  C   -0.541474   0.396667   0.014032   0.004624  -0.018054  -0.003630
     7  C   -0.904222  -0.568342  -0.109709  -0.096653  -0.297229   0.098476
     8  C    0.043488   0.112841  -1.439328   0.312761   0.012196  -0.078253
     9  C   -0.009752   0.043950   0.162359   0.181686   0.187538   0.126113
    10  C   -0.100807  -0.055049  -0.116993  -0.111147  -0.072286   0.080976
    11  C    0.001276  -0.017461   0.007403  -0.012650   0.000934   0.001457
    12  C   -0.004734   0.001948   0.000741   0.000951  -0.000101  -0.000242
    13  O    0.000193   0.000042  -0.000286   0.000293  -0.000006   0.000062
    14  O   -0.000171   0.000031   0.000121  -0.000095   0.000104  -0.000119
    15  H   -0.128711   0.036517   0.002816  -0.010353  -0.008681   0.003464
    16  H    0.005919  -0.007418   0.000820   0.001480  -0.000928   0.000286
    17  H   -0.006124   0.009918  -0.000710  -0.001201   0.000511  -0.000428
    18  H    0.024279  -0.061956  -0.049026   0.010300  -0.006438   0.000042
    19  H    2.707654  -0.423399   0.100280  -0.017495   0.025861   0.009657
    20  H   -0.423399   2.394417   0.000008   0.032310   0.009074  -0.010851
    21  H    0.100280   0.000008   2.889376  -0.069454   0.129023  -0.055143
    22  H   -0.017495   0.032310  -0.069454   1.821959  -0.274139  -0.519573
    23  H    0.025861   0.009074   0.129023  -0.274139   1.685048  -0.392849
    24  H    0.009657  -0.010851  -0.055143  -0.519573  -0.392849   2.030889
    25  H   -0.048187  -0.014257   0.114774   0.002517   0.007285  -0.015709
    26  H    0.009918  -0.066717  -0.083929  -0.020575  -0.001587   0.029028
    27  H    0.013562   0.028394  -0.094511   0.020412  -0.020917  -0.027095
    28  H    0.000185  -0.001115   0.000070  -0.000207  -0.000167   0.000211
    29  C   -0.001772  -0.002039   0.000296   0.001309   0.000419  -0.000118
    30  H   -0.000208   0.000078   0.000014  -0.000125  -0.000013  -0.000001
    31  H   -0.001115  -0.000097  -0.000056   0.000621  -0.000029  -0.000033
    32  H    0.000206   0.000212   0.000051   0.000102   0.000048   0.000010
    33  H   -0.000321  -0.000539   0.000109  -0.000275   0.000037  -0.000019
              25         26         27         28         29         30
     1  C   -0.002607  -0.001892   0.006284  -0.000999   0.010545   0.011998
     2  C    0.050601   0.184395  -0.119469   0.018155  -0.192745  -0.006208
     3  C    0.018792  -0.004953  -0.007017  -0.021832  -0.357271  -0.027653
     4  C    0.000092   0.012097  -0.004007   0.742419  -0.421320  -0.031412
     5  C    0.002892   0.014760  -0.007101  -0.076628  -0.007346  -0.007322
     6  C    0.018281  -0.005268  -0.013884  -0.055930   0.026448   0.009017
     7  C   -0.020827  -0.209667   0.079319  -0.012639  -0.059784  -0.000236
     8  C   -0.244428   0.232845   0.241948   0.003327  -0.004819   0.000140
     9  C   -0.078504  -0.051333   0.054367  -0.001269  -0.000198  -0.000112
    10  C    0.405020   0.129426   0.064394  -0.000453   0.000187   0.000038
    11  C   -0.000235   0.001408  -0.001193  -1.829639   0.679688   0.170573
    12  C    0.000225   0.000022  -0.000007   0.175791   0.089855  -0.167217
    13  O   -0.000005   0.000002   0.000003   0.043419  -0.007079  -0.022157
    14  O    0.000006   0.000000   0.000008   0.067262   0.057572   0.312537
    15  H    0.009652  -0.000705  -0.002625  -0.000321   0.006006   0.001079
    16  H   -0.000347   0.000151   0.000001  -0.012829  -0.060401   0.007466
    17  H   -0.000145  -0.000121   0.000191  -0.144552   0.021080  -0.000545
    18  H    0.002455   0.011753  -0.004054   0.004011   0.010749   0.000017
    19  H   -0.048187   0.009918   0.013562   0.000185  -0.001772  -0.000208
    20  H   -0.014257  -0.066717   0.028394  -0.001115  -0.002039   0.000078
    21  H    0.114774  -0.083929  -0.094511   0.000070   0.000296   0.000014
    22  H    0.002517  -0.020575   0.020412  -0.000207   0.001309  -0.000125
    23  H    0.007285  -0.001587  -0.020917  -0.000167   0.000419  -0.000013
    24  H   -0.015709   0.029028  -0.027095   0.000211  -0.000118  -0.000001
    25  H    1.566471  -0.260925  -0.377022   0.000020   0.000086   0.000009
    26  H   -0.260925   1.701708  -0.429577   0.000042   0.000131  -0.000003
    27  H   -0.377022  -0.429577   1.786063  -0.000074  -0.000069   0.000003
    28  H    0.000020   0.000042  -0.000074   2.558796   0.060270   0.007040
    29  C    0.000086   0.000131  -0.000069   0.060270   4.676144  -0.015904
    30  H    0.000009  -0.000003   0.000003   0.007040  -0.015904   0.563523
    31  H    0.000023  -0.000001  -0.000004   0.080942   0.544546  -0.006627
    32  H    0.000002   0.000003  -0.000006   0.001711  -0.143862  -0.001123
    33  H    0.000010   0.000037  -0.000006  -0.020859   0.094664   0.003219
              31         32         33
     1  C    0.041684  -0.025285   0.041022
     2  C   -0.140289   0.074323  -0.069572
     3  C   -0.445669   0.251959  -0.095175
     4  C   -0.089703   0.909895  -0.515772
     5  C    0.063112  -0.203548   0.137858
     6  C    0.099239  -0.074384   0.086624
     7  C   -0.013008   0.002556  -0.012966
     8  C   -0.000351  -0.000442   0.000359
     9  C   -0.000266   0.000089  -0.000034
    10  C   -0.000015  -0.000023   0.000077
    11  C    0.145607  -0.726219   0.486014
    12  C    0.043733  -0.055605   0.003030
    13  O    0.000060   0.006108  -0.000267
    14  O    0.027132   0.016513   0.011231
    15  H    0.005483  -0.002647   0.002303
    16  H   -0.092282   0.018320  -0.013253
    17  H    0.000561   0.007252  -0.002316
    18  H    0.001009  -0.000366   0.001669
    19  H   -0.001115   0.000206  -0.000321
    20  H   -0.000097   0.000212  -0.000539
    21  H   -0.000056   0.000051   0.000109
    22  H    0.000621   0.000102  -0.000275
    23  H   -0.000029   0.000048   0.000037
    24  H   -0.000033   0.000010  -0.000019
    25  H    0.000023   0.000002   0.000010
    26  H   -0.000001   0.000003   0.000037
    27  H   -0.000004  -0.000006  -0.000006
    28  H    0.080942   0.001711  -0.020859
    29  C    0.544546  -0.143862   0.094664
    30  H   -0.006627  -0.001123   0.003219
    31  H    1.485700  -0.359810  -0.248328
    32  H   -0.359810   1.873689  -0.325357
    33  H   -0.248328  -0.325357   1.623204
 Mulliken charges:
               1
     1  C    0.635613
     2  C    1.244248
     3  C    1.131381
     4  C    0.861671
     5  C    0.070228
     6  C    0.043073
     7  C    1.529127
     8  C   -0.720584
     9  C    1.158038
    10  C    1.040928
    11  C    0.244742
    12  C    0.763315
    13  O   -0.576288
    14  O   -0.554538
    15  H   -1.063681
    16  H   -1.045352
    17  H   -0.953395
    18  H   -0.970834
    19  H   -0.552675
    20  H   -0.542396
    21  H   -0.623676
    22  H   -0.250690
    23  H   -0.139823
    24  H   -0.253776
    25  H   -0.136013
    26  H   -0.190473
    27  H   -0.186311
    28  H   -0.584160
    29  C    0.994731
    30  H    0.200115
    31  H   -0.141767
    32  H   -0.244370
    33  H   -0.186408
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.428068
     2  C    1.244248
     3  C    0.086029
     4  C    0.861671
     5  C   -0.883167
     6  C   -0.927761
     7  C    0.434056
     8  C   -1.344260
     9  C    0.513748
    10  C    0.528131
    11  C   -0.339418
    12  C    0.763315
    13  O   -0.576288
    14  O   -0.354423
    29  C    0.422186
 Electronic spatial extent (au):  <R**2>=           4610.8005
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8248    Y=             -0.7552    Z=             -1.4653  Tot=              1.8433
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.3234   YY=            -90.8497   ZZ=            -92.4540
   XY=              2.0106   XZ=              6.6928   YZ=             -6.6001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.2190   YY=             -0.3074   ZZ=             -1.9116
   XY=              2.0106   XZ=              6.6928   YZ=             -6.6001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -28.7572  YYY=             27.3350  ZZZ=             -5.1952  XYY=            -20.1883
  XXY=             -3.6514  XXZ=            -21.2872  XZZ=              8.2720  YZZ=             -4.8244
  YYZ=             -4.8951  XYZ=             17.4742
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4970.7624 YYYY=           -701.2039 ZZZZ=           -500.9119 XXXY=            -22.4626
 XXXZ=             95.7381 YYYX=            -84.6817 YYYZ=            -23.7719 ZZZX=             11.1114
 ZZZY=            -23.3163 XXYY=           -895.8328 XXZZ=           -954.5647 YYZZ=           -215.3208
 XXYZ=            -63.2635 YYXZ=             46.0244 ZZXY=             11.6001
 N-N= 9.726544920257D+02 E-N=-3.472418625203D+03  KE= 6.526026192087D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 16:54:05 2021, MaxMem=  6442450944 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.14295476D-01-2.73838548D-01-5.59695094D-01
 Polarizability= 2.07574945D+02-1.91561303D+00 1.29421724D+02
                -1.16276622D-01-6.93531923D+00 1.42423764D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2261    0.2229       -1.0197   -1.0198
 2     -0.2261   -0.2229        3.4182    3.4165      -41.0700  -41.0654
 3      1.0197    1.0198       34.2335   34.2281       -3.4168   -3.4165
 4     -3.4182   -3.4165        0.0000    0.0000        1.0207    1.0198
 5      6.8365    6.8373       -1.0207   -1.0198        0.2182    0.2229
 6      3.4168    3.4165       -0.2182   -0.2229        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6688   -0.6688       -3.0594   -3.0594
 2    -10.2495  -10.2495        0.0000    0.0000       -3.0594   -3.0594
 3    -10.2495  -10.2495       -0.6688   -0.6688        0.0000    0.0000
 4     -0.6688   -0.6688       10.2495   10.2495     -123.1961 -123.1961
 5      3.0594    3.0594      102.6843  102.6843      -10.2495  -10.2495
 6     20.5118   20.5118       -3.0594   -3.0594        0.6688    0.6688
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.8137    0.0000        0.3107   -0.8917        4.1264    4.0792
 2     -1.2148    0.8917      -15.6151  -13.6660      163.5515  164.2615
 3     -3.8358   -4.0792     -137.0911 -136.9124       13.4389   13.6660
 4     14.3830   13.6660        0.6256    0.0000       -4.1086   -4.0792
 5    -27.0028  -27.3490        4.0957    4.0792       -0.6824   -0.8917
 6    -13.6555  -13.6660        0.8463    0.8917       -0.2137    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.9240    0.0000      -82.0203  -84.3341       -2.3204   -3.4568
 2     85.8436   84.3341      -12.4294  -12.9736       12.0341   12.4397
 3      0.9536    3.4568       22.2088   24.4508       12.6007   12.9736
 4     10.7719   12.9736       -1.7790    0.0000        2.6880    3.4568
 5    -35.4885  -36.8905       -2.3482   -3.4568      -83.8781  -84.3341
 6    -13.3938  -12.9736       84.0705   84.3341       -0.1463    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.4279  -11.2706        1.0193    0.1304      -14.9497  -15.0430
 2     16.1874   15.5741      -62.4302  -62.9235      -14.4672  -15.0430
 3     15.6650   15.5741        0.5752    0.1304      -16.8935  -17.0778
 4     62.7477   63.0539      -28.0302  -26.8447       19.4317   20.4577
 5     -2.7296   -2.0348       30.5193   31.5551       26.6942   26.8447
 6    -51.9009  -52.0128        2.0282    2.0348      -62.4408  -63.0539
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9615   -0.0011   -0.0005    0.0005    2.0155    2.4544
 Low frequencies ---   22.1407   36.9610   44.7806
 Diagonal vibrational polarizability:
       33.7798898      31.2611392       9.9312678
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.1335                36.9606                44.7792
 Red. masses --      3.7021                 6.2482                 3.6274
 Frc consts  --      0.0011                 0.0050                 0.0043
 IR Inten    --      0.4799                 0.6865                 0.3438
 RamAct Fr= 1--      0.6233                 1.0733                 2.2923
  Dep-P Fr= 1--      0.7116                 0.6634                 0.7365
  Dep-U Fr= 1--      0.8315                 0.7976                 0.8482
 Alpha2 Fr= 1--      0.0004                 0.0017                 0.0005
 Beta2  Fr= 1--      0.0864                 0.1427                 0.3241
 AlphaG Fr= 1--     -0.0011                 0.0058                -0.0066
 Gamma2 Fr= 1--      0.4210                -0.1503                -1.3448
 Delta2 Fr= 1--      0.2716                 0.2322                -1.0965
 Raman1 Fr= 1--       2.493                  4.293                  9.169
 ROA1   Fr= 1--      49.105                 -6.997               -164.195
 CID1   Fr= 1--      19.696                 -1.630                -17.907
 Raman2 Fr= 1--       1.037                  1.712                  3.889
 ROA2   Fr= 1--       7.930                 -5.465                -23.504
 CID2   Fr= 1--       7.650                 -3.192                 -6.044
 Raman3 Fr= 1--       2.073                  3.424                  7.778
 ROA3   Fr= 1--      49.105                 -6.997               -164.195
 CID3   Fr= 1--      23.686                 -2.043                -21.111
 RC180  Fr= 1--       0.663                  0.595                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11   0.00    -0.01  -0.11  -0.05    -0.02  -0.13  -0.07
     2   6     0.00   0.04  -0.05    -0.01  -0.07  -0.03     0.00  -0.00  -0.03
     3   6    -0.02   0.11   0.04    -0.01  -0.12  -0.05    -0.01  -0.13  -0.06
     4   6     0.01   0.05   0.03    -0.01  -0.09  -0.03     0.01  -0.01  -0.01
     5   6     0.03  -0.02  -0.01    -0.01  -0.07  -0.03     0.03   0.12   0.02
     6   6     0.03  -0.03  -0.05    -0.01  -0.07  -0.03     0.03   0.12   0.01
     7   6    -0.00   0.03  -0.09    -0.01   0.01  -0.01     0.00   0.01  -0.06
     8   6     0.04  -0.07   0.03    -0.10   0.03   0.05     0.02  -0.05   0.02
     9   6     0.04   0.00   0.21    -0.22   0.03   0.14    -0.08   0.00   0.22
    10   6     0.04  -0.09  -0.05    -0.08   0.17   0.02     0.01   0.02  -0.12
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.01   0.02
    12   6    -0.04   0.01  -0.05     0.14   0.05  -0.01     0.00   0.01   0.00
    13   8     0.01   0.10  -0.10     0.42   0.14  -0.01    -0.16  -0.03  -0.01
    14   8    -0.15  -0.12  -0.10    -0.04  -0.02  -0.02     0.18   0.05   0.00
    15   1    -0.04   0.17   0.01    -0.02  -0.13  -0.05    -0.03  -0.22  -0.10
    16   1    -0.04   0.17   0.08    -0.02  -0.14  -0.05    -0.03  -0.22  -0.09
    17   1     0.06  -0.08  -0.02    -0.00  -0.05  -0.02     0.04   0.22   0.06
    18   1     0.05  -0.09  -0.09    -0.00  -0.04  -0.02     0.04   0.22   0.04
    19   1    -0.03   0.15  -0.09     0.01   0.07  -0.00    -0.02   0.09  -0.06
    20   1    -0.01  -0.03  -0.21     0.04   0.02  -0.04     0.01  -0.03  -0.14
    21   1     0.08  -0.20   0.03    -0.08  -0.06   0.05     0.10  -0.19   0.04
    22   1     0.05   0.01   0.26    -0.23  -0.06   0.18    -0.08  -0.05   0.34
    23   1     0.01   0.13   0.21    -0.25   0.12   0.14    -0.18   0.14   0.21
    24   1     0.08  -0.07   0.29    -0.27   0.04   0.18    -0.07  -0.04   0.27
    25   1    -0.00   0.04  -0.06    -0.09   0.27   0.02    -0.07   0.17  -0.15
    26   1     0.03  -0.15  -0.18     0.01   0.16  -0.05     0.09  -0.03  -0.28
    27   1     0.07  -0.16   0.03    -0.15   0.17   0.08     0.03  -0.04  -0.06
    28   1     0.05   0.10   0.10    -0.00   0.03   0.00     0.02   0.02   0.02
    29   6     0.03  -0.10   0.15    -0.08   0.04   0.02    -0.02   0.01   0.04
    30   1    -0.18  -0.11  -0.17     0.09   0.02  -0.03     0.15   0.04  -0.01
    31   1     0.02  -0.19   0.11    -0.07   0.01   0.01    -0.06   0.01   0.03
    32   1     0.03  -0.11   0.14    -0.07   0.13   0.03    -0.02   0.01   0.08
    33   1     0.06  -0.08   0.24    -0.16   0.02   0.03    -0.03   0.01   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.9946                67.7142               111.2610
 Red. masses --      4.4675                 3.0946                 4.5657
 Frc consts  --      0.0080                 0.0084                 0.0333
 IR Inten    --      0.2463                 0.0415                 0.0041
 RamAct Fr= 1--      3.6022                 0.0903                 2.3837
  Dep-P Fr= 1--      0.7455                 0.7367                 0.7000
  Dep-U Fr= 1--      0.8542                 0.8484                 0.8235
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0021
 Beta2  Fr= 1--      0.5128                 0.0128                 0.3272
 AlphaG Fr= 1--      0.0004                 0.0001                 0.0019
 Gamma2 Fr= 1--      0.5931                 0.3375                -0.7711
 Delta2 Fr= 1--      0.3848                 0.1620                -0.2767
 Raman1 Fr= 1--      14.409                  0.361                  9.535
 ROA1   Fr= 1--      69.252                 37.578                -82.877
 CID1   Fr= 1--       4.806                104.090                 -8.692
 Raman2 Fr= 1--       6.154                  0.153                  3.926
 ROA2   Fr= 1--      11.157                  6.803                -16.292
 CID2   Fr= 1--       1.813                 44.426                 -4.150
 Raman3 Fr= 1--      12.308                  0.306                  7.852
 ROA3   Fr= 1--      69.252                 37.578                -82.877
 CID3   Fr= 1--       5.627                122.694                -10.555
 RC180  Fr= 1--       0.708                  0.697                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.08    -0.04  -0.02  -0.09    -0.08   0.10   0.07
     2   6    -0.01   0.09  -0.02    -0.00   0.00  -0.11    -0.07   0.13   0.07
     3   6    -0.04  -0.11  -0.08    -0.04  -0.03  -0.04    -0.09  -0.03   0.04
     4   6    -0.02   0.01  -0.04     0.01  -0.02  -0.02    -0.08  -0.13   0.01
     5   6    -0.00   0.20   0.02     0.04  -0.02  -0.05    -0.08  -0.10   0.01
     6   6     0.00   0.24   0.03     0.04  -0.01  -0.09    -0.07   0.02   0.04
     7   6    -0.01   0.05  -0.03    -0.00   0.05  -0.11    -0.07   0.13   0.03
     8   6     0.04  -0.02   0.02    -0.06   0.02   0.01     0.05   0.07  -0.00
     9   6     0.15   0.01   0.03     0.06   0.03  -0.05     0.16   0.11   0.02
    10   6     0.03  -0.13   0.09    -0.06  -0.02   0.25     0.03  -0.08  -0.10
    11   6    -0.02  -0.05  -0.05     0.02   0.01   0.06    -0.08  -0.10  -0.00
    12   6    -0.02  -0.05   0.03     0.02   0.01   0.02     0.07  -0.05  -0.03
    13   8     0.15  -0.05   0.07    -0.05   0.02  -0.00     0.11  -0.01  -0.05
    14   8    -0.20  -0.04   0.05     0.11   0.00   0.01     0.22  -0.04  -0.04
    15   1    -0.04  -0.18  -0.11    -0.07  -0.02  -0.10    -0.08   0.17   0.09
    16   1    -0.05  -0.25  -0.13    -0.07  -0.04  -0.02    -0.09  -0.04   0.04
    17   1     0.01   0.30   0.06     0.08  -0.02  -0.03    -0.08  -0.17  -0.01
    18   1     0.01   0.37   0.07     0.07  -0.01  -0.11    -0.06   0.03   0.04
    19   1    -0.02   0.09  -0.03     0.01   0.15  -0.10    -0.12   0.13   0.02
    20   1    -0.05   0.01  -0.09     0.02   0.03  -0.18    -0.08   0.10  -0.01
    21   1    -0.00  -0.03   0.01    -0.23   0.02  -0.04     0.11   0.10   0.01
    22   1     0.16   0.07  -0.03     0.04   0.04  -0.26     0.18   0.21   0.04
    23   1     0.23   0.03   0.05     0.26   0.05  -0.00     0.14   0.09   0.01
    24   1     0.16  -0.02   0.09    -0.04   0.02   0.06     0.25   0.06   0.01
    25   1     0.08  -0.15   0.10     0.12  -0.05   0.31    -0.04  -0.14  -0.12
    26   1    -0.05  -0.16   0.09    -0.15  -0.02   0.33    -0.04  -0.11  -0.10
    27   1     0.07  -0.17   0.11    -0.12  -0.02   0.32     0.15  -0.13  -0.15
    28   1    -0.01  -0.10  -0.06     0.07   0.06   0.09    -0.12  -0.07  -0.00
    29   6    -0.01  -0.01  -0.08    -0.06  -0.03   0.15    -0.14  -0.04  -0.01
    30   1    -0.17  -0.04   0.10     0.10   0.00  -0.02     0.35   0.00  -0.06
    31   1    -0.05   0.05  -0.07    -0.11  -0.08   0.12    -0.10  -0.07  -0.01
    32   1    -0.01  -0.05  -0.06    -0.04   0.00   0.21    -0.14   0.06  -0.02
    33   1     0.01  -0.01  -0.14    -0.07  -0.03   0.18    -0.24  -0.07   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    166.7511               197.8825               227.3930
 Red. masses --      3.8068                 2.9367                 1.1098
 Frc consts  --      0.0624                 0.0678                 0.0338
 IR Inten    --      0.1772                 0.0236                 0.0260
 RamAct Fr= 1--      1.1898                 0.4092                 0.2242
  Dep-P Fr= 1--      0.2442                 0.6163                 0.7276
  Dep-U Fr= 1--      0.3925                 0.7626                 0.8423
 Alpha2 Fr= 1--      0.0143                 0.0010                 0.0001
 Beta2  Fr= 1--      0.0778                 0.0520                 0.0315
 AlphaG Fr= 1--     -0.0069                -0.0041                 0.0006
 Gamma2 Fr= 1--     -0.1751                 0.4246                 0.0671
 Delta2 Fr= 1--      0.0155                 0.3311                 0.0750
 Raman1 Fr= 1--       4.759                  1.637                  0.897
 ROA1   Fr= 1--     -16.312                 51.360                  8.844
 CID1   Fr= 1--      -3.428                 31.377                  9.864
 Raman2 Fr= 1--       0.934                  0.624                  0.378
 ROA2   Fr= 1--      -4.326                  7.542                  1.011
 CID2   Fr= 1--      -4.632                 12.085                  2.678
 Raman3 Fr= 1--       1.868                  1.248                  0.755
 ROA3   Fr= 1--     -16.312                 51.360                  8.844
 CID3   Fr= 1--      -8.733                 41.145                 11.711
 RC180  Fr= 1--      -0.215                  0.525                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.08   0.02    -0.05  -0.11   0.03    -0.00   0.02   0.00
     2   6    -0.06   0.02  -0.02     0.00  -0.05   0.01     0.01   0.01  -0.00
     3   6    -0.05   0.10   0.09    -0.03  -0.11   0.09    -0.00   0.00   0.01
     4   6     0.00   0.06   0.10     0.00  -0.06   0.12    -0.00  -0.01   0.01
     5   6     0.02   0.10   0.10     0.04  -0.09   0.08     0.01   0.00   0.01
     6   6     0.01   0.08   0.03     0.04  -0.08   0.02     0.01   0.02   0.00
     7   6    -0.08  -0.03  -0.10     0.00   0.07  -0.10     0.01  -0.01  -0.01
     8   6    -0.11  -0.06  -0.04     0.00   0.04  -0.04     0.01  -0.01  -0.01
     9   6    -0.11  -0.05  -0.03     0.08   0.09   0.02    -0.00  -0.03  -0.03
    10   6    -0.11  -0.05   0.03     0.00   0.00  -0.01     0.01   0.02   0.04
    11   6    -0.00  -0.05   0.01    -0.01   0.02   0.03    -0.00  -0.01   0.00
    12   6     0.04  -0.04  -0.00    -0.02   0.03   0.00     0.00  -0.01   0.00
    13   8     0.10  -0.01  -0.01    -0.07   0.07  -0.03    -0.01  -0.00  -0.00
    14   8     0.14  -0.04  -0.01    -0.06  -0.02  -0.02    -0.00  -0.03  -0.00
    15   1    -0.10   0.08   0.01    -0.09  -0.13   0.00    -0.01   0.02   0.00
    16   1    -0.09   0.12   0.13    -0.06  -0.13   0.10    -0.01   0.00   0.02
    17   1     0.05   0.12   0.12     0.08  -0.09   0.10     0.02   0.00   0.01
    18   1     0.06   0.09  -0.00     0.07  -0.08   0.00     0.02   0.03  -0.00
    19   1    -0.11   0.03  -0.11    -0.09   0.18  -0.12     0.01  -0.02  -0.01
    20   1    -0.07  -0.05  -0.16     0.10   0.05  -0.22    -0.01  -0.01  -0.01
    21   1    -0.16  -0.09  -0.06    -0.02  -0.00  -0.05    -0.01  -0.01  -0.01
    22   1    -0.12  -0.08  -0.07     0.05   0.05  -0.18     0.03   0.08   0.20
    23   1    -0.07  -0.02  -0.01     0.30   0.22   0.08    -0.24  -0.15  -0.10
    24   1    -0.15  -0.05   0.02    -0.06   0.04   0.22     0.19  -0.02  -0.23
    25   1    -0.04  -0.02   0.06     0.02  -0.01  -0.01     0.11   0.45   0.07
    26   1    -0.14  -0.07   0.02    -0.02   0.00  -0.00    -0.02  -0.16  -0.33
    27   1    -0.13  -0.07   0.09     0.01  -0.00  -0.01    -0.04  -0.19   0.41
    28   1    -0.08  -0.09  -0.02    -0.13  -0.01  -0.01    -0.02  -0.02  -0.00
    29   6     0.21  -0.07  -0.12     0.08   0.14  -0.13    -0.03   0.03  -0.01
    30   1     0.24  -0.01  -0.03    -0.11  -0.03  -0.05    -0.01  -0.03  -0.02
    31   1     0.27   0.01  -0.07     0.32   0.14  -0.08     0.17  -0.10  -0.02
    32   1     0.18  -0.23  -0.24     0.04   0.28  -0.35    -0.04   0.26  -0.16
    33   1     0.35  -0.03  -0.15    -0.07   0.10  -0.10    -0.23  -0.02   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    233.4609               250.0540               254.4118
 Red. masses --      1.1277                 1.4921                 1.6414
 Frc consts  --      0.0362                 0.0550                 0.0626
 IR Inten    --      0.0024                 0.0864                 0.1041
 RamAct Fr= 1--      0.1512                 1.2826                 0.4965
  Dep-P Fr= 1--      0.6716                 0.4480                 0.6555
  Dep-U Fr= 1--      0.8036                 0.6188                 0.7919
 Alpha2 Fr= 1--      0.0002                 0.0079                 0.0008
 Beta2  Fr= 1--      0.0203                 0.1323                 0.0655
 AlphaG Fr= 1--      0.0002                -0.0222                -0.0039
 Gamma2 Fr= 1--      0.1239                -0.6396                 0.5517
 Delta2 Fr= 1--      0.0613                 0.0520                 0.1120
 Raman1 Fr= 1--       0.605                  5.130                  1.986
 ROA1   Fr= 1--      13.853                -59.739                 56.551
 CID1   Fr= 1--      22.904                -11.644                 28.473
 Raman2 Fr= 1--       0.243                  1.587                  0.786
 ROA2   Fr= 1--       2.482                -15.766                 12.345
 CID2   Fr= 1--      10.214                 -9.933                 15.699
 Raman3 Fr= 1--       0.486                  3.174                  1.573
 ROA3   Fr= 1--      13.853                -59.739                 56.551
 CID3   Fr= 1--      28.502                -18.819                 35.955
 RC180  Fr= 1--       0.607                  0.238                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.00    -0.01  -0.05  -0.03     0.00  -0.04   0.00
     2   6     0.01   0.01  -0.01    -0.02  -0.01  -0.01    -0.02  -0.03   0.02
     3   6     0.01   0.03  -0.00    -0.01  -0.04  -0.02     0.00  -0.01  -0.02
     4   6     0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.01   0.02  -0.02
     5   6     0.01   0.03  -0.00    -0.00  -0.02  -0.01    -0.04  -0.00  -0.01
     6   6     0.01   0.04  -0.00    -0.01  -0.04  -0.02    -0.04  -0.03   0.01
     7   6     0.01  -0.02  -0.00    -0.02   0.04   0.02    -0.02  -0.00   0.02
     8   6    -0.00  -0.02   0.00    -0.03   0.04   0.02    -0.01   0.01  -0.01
     9   6    -0.03  -0.03   0.01     0.01   0.06   0.02     0.04   0.03  -0.01
    10   6    -0.00  -0.00  -0.00    -0.04  -0.06   0.00    -0.01   0.01  -0.03
    11   6     0.01  -0.01  -0.01     0.02   0.03  -0.00    -0.01   0.02  -0.03
    12   6     0.01  -0.02   0.00     0.00   0.03  -0.00    -0.01   0.03  -0.03
    13   8     0.00  -0.03   0.01     0.00   0.00   0.01     0.02  -0.02   0.02
    14   8     0.00  -0.02   0.00    -0.01   0.06   0.01    -0.01   0.11   0.02
    15   1     0.01   0.05   0.00    -0.01  -0.07  -0.04     0.02  -0.05   0.01
    16   1     0.01   0.04   0.00    -0.01  -0.05  -0.02     0.02  -0.00  -0.03
    17   1     0.01   0.03  -0.00    -0.01  -0.03  -0.01    -0.06   0.01  -0.02
    18   1     0.01   0.05   0.00     0.00  -0.04  -0.03    -0.06  -0.04   0.02
    19   1     0.01  -0.01  -0.00     0.00   0.06   0.02    -0.02  -0.04   0.02
    20   1    -0.01  -0.02  -0.00    -0.00   0.05   0.02    -0.00   0.02   0.06
    21   1     0.00  -0.03   0.00    -0.02   0.06   0.03     0.00   0.02  -0.01
    22   1    -0.06  -0.11  -0.10     0.07   0.26   0.40     0.00  -0.06  -0.31
    23   1     0.08   0.03   0.04    -0.39  -0.11  -0.09     0.37   0.15   0.08
    24   1    -0.15  -0.01   0.10     0.35   0.02  -0.27    -0.17   0.02   0.23
    25   1    -0.04  -0.25  -0.02    -0.08  -0.28  -0.02     0.01   0.33  -0.02
    26   1     0.04   0.11   0.22    -0.10  -0.00   0.16    -0.02  -0.12  -0.32
    27   1     0.00   0.13  -0.22     0.04  -0.00  -0.17    -0.00  -0.15   0.21
    28   1     0.01  -0.01  -0.00     0.01   0.05   0.01    -0.00   0.07  -0.01
    29   6    -0.03   0.01   0.01     0.10  -0.06   0.01     0.06  -0.12   0.03
    30   1    -0.01  -0.02  -0.00    -0.03   0.05   0.05     0.01   0.11   0.09
    31   1     0.33  -0.29  -0.04     0.25  -0.21  -0.01     0.20  -0.33  -0.02
    32   1    -0.06   0.42  -0.26     0.07   0.01  -0.14     0.04  -0.06  -0.11
    33   1    -0.40  -0.09   0.33     0.05  -0.06   0.20     0.03  -0.12   0.28
                     13                     14                     15
                      A                      A                      A
 Frequencies --    297.2565               318.5885               346.0931
 Red. masses --      2.7188                 3.6183                 3.2536
 Frc consts  --      0.1415                 0.2164                 0.2296
 IR Inten    --      0.2623                 0.7609                 0.4049
 RamAct Fr= 1--      1.8060                 0.7593                 2.2922
  Dep-P Fr= 1--      0.1695                 0.3996                 0.6261
  Dep-U Fr= 1--      0.2898                 0.5711                 0.7701
 Alpha2 Fr= 1--      0.0266                 0.0056                 0.0052
 Beta2  Fr= 1--      0.0872                 0.0723                 0.2942
 AlphaG Fr= 1--      0.0116                 0.0089                 0.0122
 Gamma2 Fr= 1--     -0.1418                 0.0090                 0.8006
 Delta2 Fr= 1--     -0.2101                -0.1136                 0.0525
 Raman1 Fr= 1--       7.224                  3.037                  9.169
 ROA1   Fr= 1--     -20.336                 -2.772                 78.532
 CID1   Fr= 1--      -2.815                 -0.913                  8.565
 Raman2 Fr= 1--       1.047                  0.867                  3.530
 ROA2   Fr= 1--      -1.722                  1.125                 18.794
 CID2   Fr= 1--      -1.645                  1.297                  5.323
 Raman3 Fr= 1--       2.094                  1.734                  7.061
 ROA3   Fr= 1--     -20.336                 -2.772                 78.532
 CID3   Fr= 1--      -9.713                 -1.598                 11.122
 RC180  Fr= 1--      -0.420                  0.142                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.03     0.08   0.03   0.10    -0.04   0.09  -0.04
     2   6     0.01   0.01  -0.00     0.05  -0.00   0.08    -0.00   0.20  -0.02
     3   6    -0.06  -0.02   0.06     0.09  -0.01   0.06    -0.05  -0.13  -0.02
     4   6    -0.06  -0.03   0.05     0.07  -0.07   0.02     0.01  -0.13   0.01
     5   6    -0.02  -0.02   0.03     0.06  -0.02   0.07     0.05  -0.14  -0.03
     6   6    -0.00   0.01   0.00     0.08   0.03   0.11     0.05   0.08  -0.04
     7   6     0.04  -0.02  -0.10    -0.00   0.05  -0.12    -0.00   0.07   0.08
     8   6     0.10  -0.08  -0.03    -0.06   0.02  -0.06     0.05   0.00   0.08
     9   6     0.03  -0.09   0.00    -0.09   0.03  -0.02    -0.12  -0.12  -0.05
    10   6     0.15   0.14   0.07    -0.08  -0.12   0.01     0.04  -0.07  -0.00
    11   6    -0.09  -0.01  -0.03     0.06   0.00  -0.09     0.03   0.01   0.03
    12   6    -0.04   0.03  -0.05     0.04   0.01  -0.11     0.02   0.05   0.00
    13   8     0.02  -0.01  -0.01     0.01  -0.12  -0.04    -0.04   0.06  -0.01
    14   8    -0.02   0.13  -0.00    -0.07   0.16  -0.04    -0.03   0.06   0.01
    15   1    -0.10   0.02   0.02     0.11   0.07   0.13    -0.09   0.13  -0.05
    16   1    -0.06  -0.03   0.06     0.09   0.01   0.06    -0.11  -0.21  -0.01
    17   1     0.02  -0.03   0.05     0.05  -0.01   0.07     0.09  -0.23  -0.03
    18   1    -0.00   0.02   0.00     0.09   0.07   0.13     0.11   0.11  -0.08
    19   1    -0.06   0.10  -0.12    -0.16   0.22  -0.15     0.09   0.03   0.11
    20   1     0.03  -0.08  -0.25     0.13   0.03  -0.30    -0.15   0.02   0.12
    21   1     0.08  -0.13  -0.04    -0.10  -0.02  -0.07     0.09   0.04   0.10
    22   1     0.05  -0.08   0.16    -0.09  -0.00   0.04    -0.17  -0.37  -0.20
    23   1    -0.14  -0.14  -0.04    -0.15   0.06  -0.03    -0.02  -0.17  -0.03
    24   1     0.12  -0.08  -0.11    -0.09   0.03  -0.02    -0.39   0.07  -0.07
    25   1     0.23   0.01   0.09    -0.02  -0.14   0.03    -0.02  -0.03  -0.02
    26   1     0.32   0.30   0.29    -0.25  -0.17  -0.00    -0.02  -0.14  -0.09
    27   1    -0.07   0.36  -0.05     0.00  -0.21   0.06     0.14  -0.16   0.03
    28   1    -0.14   0.04  -0.02     0.01   0.10  -0.06    -0.02   0.04   0.03
    29   6    -0.02  -0.10  -0.02    -0.11  -0.01   0.04     0.09   0.00   0.00
    30   1     0.05   0.14   0.09    -0.18   0.10   0.12    -0.12   0.03   0.05
    31   1    -0.03  -0.14  -0.03    -0.32  -0.02  -0.00     0.11   0.04   0.02
    32   1    -0.03  -0.18  -0.03    -0.07   0.03   0.27     0.08  -0.07  -0.05
    33   1     0.06  -0.07   0.04    -0.14  -0.02  -0.01     0.16   0.02  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    387.4705               407.3287               419.2855
 Red. masses --      2.6957                 2.5949                 2.9481
 Frc consts  --      0.2385                 0.2537                 0.3054
 IR Inten    --      0.7465                 0.3626                 0.0296
 RamAct Fr= 1--      0.2428                 6.7442                 0.0954
  Dep-P Fr= 1--      0.4744                 0.0998                 0.4666
  Dep-U Fr= 1--      0.6436                 0.1815                 0.6363
 Alpha2 Fr= 1--      0.0013                 0.1181                 0.0005
 Beta2  Fr= 1--      0.0260                 0.2040                 0.0101
 AlphaG Fr= 1--      0.0035                -0.0163                 0.0124
 Gamma2 Fr= 1--      0.4671                -0.2408                 0.2369
 Delta2 Fr= 1--      0.2187                 0.1790                -0.0417
 Raman1 Fr= 1--       0.971                 26.977                  0.381
 ROA1   Fr= 1--      51.837                -17.390                 21.406
 CID1   Fr= 1--      53.368                 -0.645                 56.118
 Raman2 Fr= 1--       0.313                  2.448                  0.121
 ROA2   Fr= 1--       9.460                 -7.212                  6.018
 CID2   Fr= 1--      30.267                 -2.947                 49.590
 Raman3 Fr= 1--       0.625                  4.895                  0.243
 ROA3   Fr= 1--      51.837                -17.390                 21.406
 CID3   Fr= 1--      82.928                 -3.553                 88.188
 RC180  Fr= 1--       0.287                 -0.637                  0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.07     0.00   0.06   0.02    -0.02  -0.19  -0.08
     2   6     0.00   0.01   0.13    -0.06   0.05   0.05    -0.00   0.00  -0.02
     3   6     0.05   0.01  -0.09     0.01  -0.04  -0.06     0.01   0.19   0.08
     4   6    -0.02   0.03  -0.11     0.05  -0.06  -0.05     0.00  -0.01   0.01
     5   6    -0.10  -0.04  -0.09    -0.02  -0.04  -0.00    -0.00  -0.20  -0.06
     6   6    -0.07   0.00   0.10    -0.02   0.03   0.06     0.03   0.20   0.06
     7   6    -0.01   0.09  -0.11    -0.10  -0.02  -0.03    -0.00  -0.02   0.01
     8   6     0.05  -0.00  -0.04    -0.10  -0.10   0.06    -0.01  -0.00   0.01
     9   6    -0.07  -0.03  -0.03     0.12  -0.08   0.00     0.02   0.00   0.01
    10   6     0.06  -0.03   0.03    -0.10   0.12  -0.04    -0.01   0.01  -0.01
    11   6     0.00   0.02   0.01     0.10   0.03   0.00     0.00  -0.00   0.00
    12   6    -0.02   0.01   0.08     0.07   0.01  -0.01     0.00  -0.00  -0.01
    13   8    -0.02   0.08   0.04    -0.01  -0.04  -0.00     0.00  -0.00  -0.01
    14   8     0.03  -0.09   0.04    -0.01  -0.00  -0.01    -0.00   0.01  -0.00
    15   1     0.16  -0.10   0.10     0.06   0.07   0.05    -0.05  -0.40  -0.16
    16   1     0.14   0.02  -0.15    -0.01  -0.07  -0.06     0.02   0.43   0.17
    17   1    -0.21  -0.07  -0.15    -0.08  -0.04  -0.03    -0.01  -0.42  -0.13
    18   1    -0.17   0.01   0.17    -0.01   0.04   0.05     0.06   0.44   0.13
    19   1    -0.26   0.38  -0.16    -0.16   0.13  -0.04     0.03  -0.05   0.02
    20   1     0.13   0.01  -0.44    -0.10  -0.09  -0.19    -0.01  -0.00   0.05
    21   1     0.03  -0.04  -0.04    -0.11  -0.12   0.06    -0.01   0.00   0.01
    22   1    -0.08  -0.16   0.01     0.16   0.19  -0.09     0.02   0.04   0.00
    23   1    -0.13  -0.02  -0.04     0.23  -0.23   0.02     0.02  -0.00   0.01
    24   1    -0.15   0.04  -0.07     0.29  -0.16  -0.04     0.04  -0.01   0.01
    25   1     0.14  -0.05   0.06    -0.24   0.19  -0.08    -0.03   0.01  -0.01
    26   1    -0.02  -0.05   0.06     0.18   0.20  -0.06     0.01   0.01  -0.01
    27   1     0.05  -0.06   0.08    -0.23   0.26  -0.13    -0.02   0.02  -0.02
    28   1     0.09  -0.04   0.00     0.12   0.06   0.02    -0.00   0.00   0.00
    29   6     0.05  -0.01   0.00     0.07   0.06   0.05    -0.01  -0.00   0.00
    30   1     0.05  -0.06  -0.07    -0.20  -0.05  -0.01    -0.01   0.00   0.01
    31   1     0.11  -0.04   0.00     0.04   0.07   0.04    -0.01   0.01   0.00
    32   1     0.04  -0.05  -0.07     0.07   0.07   0.08    -0.01  -0.00   0.01
    33   1     0.09   0.00   0.06     0.06   0.06   0.02    -0.00  -0.00  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    427.6289               453.8464               552.7255
 Red. masses --      2.2153                 4.3149                 2.3165
 Frc consts  --      0.2387                 0.5236                 0.4170
 IR Inten    --      0.1881                 3.3720                15.0860
 RamAct Fr= 1--      0.8037                 1.6760                 1.4845
  Dep-P Fr= 1--      0.7178                 0.2783                 0.4464
  Dep-U Fr= 1--      0.8357                 0.4355                 0.6172
 Alpha2 Fr= 1--      0.0004                 0.0183                 0.0092
 Beta2  Fr= 1--      0.1119                 0.1216                 0.1527
 AlphaG Fr= 1--      0.0028                 0.0142                 0.0093
 Gamma2 Fr= 1--     -0.1982                -0.1338                -0.2506
 Delta2 Fr= 1--     -0.1061                -0.3632                -0.0242
 Raman1 Fr= 1--       3.215                  6.704                  5.938
 ROA1   Fr= 1--     -22.424                -24.469                -24.835
 CID1   Fr= 1--      -6.975                 -3.650                 -4.182
 Raman2 Fr= 1--       1.343                  1.460                  1.833
 ROA2   Fr= 1--      -3.908                 -0.306                 -5.821
 CID2   Fr= 1--      -2.909                 -0.209                 -3.176
 Raman3 Fr= 1--       2.687                  2.919                  3.665
 ROA3   Fr= 1--     -22.424                -24.469                -24.835
 CID3   Fr= 1--      -8.346                 -8.382                 -6.776
 RC180  Fr= 1--       0.671                 -0.129                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.02     0.11   0.06   0.05     0.04  -0.03  -0.01
     2   6     0.01  -0.04  -0.03     0.11  -0.04  -0.02     0.03   0.19   0.06
     3   6    -0.01   0.05   0.03     0.09  -0.03   0.02     0.04  -0.05   0.00
     4   6    -0.00   0.09   0.04    -0.02  -0.11  -0.04     0.04   0.19   0.07
     5   6     0.01   0.05   0.02     0.07   0.00  -0.03     0.04  -0.05  -0.00
     6   6     0.01  -0.06  -0.04     0.09   0.07  -0.00     0.04  -0.03  -0.00
     7   6     0.02   0.13   0.01     0.08  -0.04  -0.03    -0.02  -0.00  -0.01
     8   6     0.01   0.03   0.20    -0.10  -0.03   0.07    -0.03  -0.04  -0.04
     9   6     0.01  -0.09  -0.04     0.05  -0.01  -0.00     0.00  -0.02   0.01
    10   6    -0.01  -0.00  -0.04    -0.15   0.01  -0.04    -0.05   0.01  -0.00
    11   6    -0.02   0.00  -0.01    -0.12  -0.09  -0.03    -0.03   0.02  -0.03
    12   6    -0.02  -0.02  -0.02    -0.10   0.03   0.10    -0.09  -0.01  -0.00
    13   8     0.02  -0.05   0.00    -0.05   0.24  -0.00     0.02  -0.01   0.02
    14   8     0.01  -0.00  -0.02     0.00   0.01   0.09    -0.01  -0.02  -0.01
    15   1    -0.04  -0.10  -0.04     0.10   0.18   0.08     0.02  -0.34  -0.11
    16   1    -0.01   0.07   0.04     0.14   0.03   0.00     0.02  -0.37  -0.11
    17   1     0.03   0.06   0.03     0.13   0.06   0.01     0.03  -0.37  -0.10
    18   1     0.01  -0.09  -0.05     0.08   0.16   0.05     0.04  -0.34  -0.13
    19   1     0.02   0.50   0.02     0.12   0.07  -0.02    -0.04  -0.10  -0.01
    20   1     0.11   0.03  -0.30     0.14  -0.03  -0.08    -0.13  -0.02   0.06
    21   1     0.04   0.05   0.21    -0.15  -0.05   0.05    -0.05  -0.06  -0.05
    22   1    -0.01  -0.12  -0.20     0.07   0.18  -0.08     0.01   0.03   0.01
    23   1     0.10  -0.39  -0.04     0.14  -0.13   0.01     0.02   0.02   0.01
    24   1    -0.07   0.08  -0.23     0.17  -0.07  -0.03     0.05  -0.08   0.05
    25   1    -0.26   0.05  -0.11    -0.32   0.03  -0.10    -0.02   0.02   0.01
    26   1     0.07  -0.04  -0.17    -0.07   0.00  -0.12    -0.02   0.03   0.02
    27   1     0.13  -0.04  -0.12    -0.08   0.02  -0.12    -0.11   0.04   0.00
    28   1    -0.03   0.00  -0.01    -0.10  -0.18  -0.06    -0.02  -0.02  -0.04
    29   6    -0.04   0.00  -0.01    -0.08  -0.15  -0.10    -0.04  -0.01  -0.02
    30   1     0.08   0.02  -0.01     0.22   0.08   0.08     0.46   0.12  -0.05
    31   1    -0.06  -0.01  -0.01    -0.03  -0.17  -0.10    -0.09  -0.06  -0.04
    32   1    -0.03   0.03   0.02    -0.10  -0.22  -0.17    -0.03   0.03   0.03
    33   1    -0.07  -0.01  -0.01    -0.02  -0.13  -0.05    -0.08  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    580.9569               605.7165               635.4028
 Red. masses --      2.5614                 2.0820                 2.3004
 Frc consts  --      0.5093                 0.4501                 0.5472
 IR Inten    --     32.4678                65.8833                43.3908
 RamAct Fr= 1--      1.6799                 0.4202                 2.4940
  Dep-P Fr= 1--      0.1816                 0.5438                 0.2689
  Dep-U Fr= 1--      0.3074                 0.7045                 0.4239
 Alpha2 Fr= 1--      0.0239                 0.0017                 0.0280
 Beta2  Fr= 1--      0.0861                 0.0493                 0.1762
 AlphaG Fr= 1--     -0.0318                -0.0101                 0.0482
 Gamma2 Fr= 1--      0.4334                -0.0133                -0.5844
 Delta2 Fr= 1--      0.2188                 0.2190                -0.2254
 Raman1 Fr= 1--       6.720                  1.681                  9.976
 ROA1   Fr= 1--      48.603                  5.728                -63.312
 CID1   Fr= 1--       7.233                  3.408                 -6.347
 Raman2 Fr= 1--       1.033                  0.592                  2.114
 ROA2   Fr= 1--       8.650                 -2.071                -12.221
 CID2   Fr= 1--       8.375                 -3.499                 -5.780
 Raman3 Fr= 1--       2.066                  1.184                  4.229
 ROA3   Fr= 1--      48.603                  5.728                -63.312
 CID3   Fr= 1--      23.528                  4.838                -14.972
 RC180  Fr= 1--      -0.385                  0.409                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07    -0.02  -0.01  -0.03     0.03   0.03  -0.08
     2   6     0.08  -0.04  -0.01    -0.06  -0.03   0.01    -0.07  -0.05  -0.05
     3   6    -0.01  -0.05   0.00    -0.02   0.04  -0.06     0.06  -0.01   0.03
     4   6    -0.09  -0.04  -0.03     0.06  -0.02  -0.03     0.06  -0.08   0.01
     5   6    -0.03  -0.02  -0.08     0.03   0.02   0.01    -0.02  -0.04   0.11
     6   6    -0.00   0.06  -0.02     0.02  -0.04   0.04    -0.03   0.00   0.00
     7   6     0.10  -0.03  -0.02    -0.07   0.02   0.02    -0.07   0.02   0.01
     8   6    -0.02   0.00   0.01     0.01   0.00  -0.00     0.01   0.00   0.00
     9   6     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.00   0.00     0.04   0.00   0.00
    11   6    -0.09   0.05   0.11     0.07  -0.10   0.05     0.05   0.10  -0.12
    12   6    -0.09  -0.00  -0.05    -0.03  -0.10  -0.02    -0.00   0.09   0.04
    13   8     0.04  -0.11   0.03    -0.02   0.05  -0.11    -0.03  -0.01   0.10
    14   8    -0.04   0.00  -0.08    -0.07   0.06   0.06    -0.04  -0.07  -0.04
    15   1    -0.01   0.14   0.08     0.05   0.01   0.01     0.04   0.17  -0.03
    16   1     0.08   0.02  -0.03    -0.04   0.10  -0.02    -0.03   0.10   0.14
    17   1     0.02   0.03  -0.05    -0.02   0.09   0.00    -0.01   0.12   0.16
    18   1    -0.08   0.16   0.07     0.05   0.01   0.03     0.07   0.18  -0.01
    19   1     0.11  -0.00  -0.02    -0.09   0.02   0.02    -0.06   0.04   0.01
    20   1     0.14  -0.01  -0.03    -0.07   0.01  -0.00    -0.06   0.01  -0.02
    21   1    -0.06  -0.02  -0.00     0.05   0.02   0.01     0.04   0.03   0.01
    22   1     0.01   0.05  -0.01    -0.01  -0.03   0.01    -0.01  -0.03   0.00
    23   1     0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00  -0.00
    24   1     0.03  -0.01  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    25   1    -0.10  -0.02  -0.02     0.07   0.01   0.02     0.07   0.01   0.01
    26   1    -0.06  -0.02  -0.03     0.04   0.01   0.02     0.04   0.01   0.02
    27   1     0.01  -0.03  -0.03     0.00   0.01   0.02     0.01   0.01   0.02
    28   1    -0.07   0.15   0.15     0.12  -0.12   0.06     0.00   0.04  -0.15
    29   6     0.07   0.09   0.09     0.02   0.02   0.03    -0.01  -0.01  -0.03
    30   1     0.68   0.21  -0.12     0.74   0.24   0.38     0.67   0.16  -0.32
    31   1     0.23   0.21   0.16     0.06   0.14   0.07    -0.16  -0.22  -0.13
    32   1     0.04   0.01  -0.10     0.03   0.15   0.02     0.01  -0.05   0.12
    33   1     0.15   0.12   0.02    -0.12  -0.03  -0.12     0.04   0.01   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    662.8448               726.9254               753.0541
 Red. masses --      5.7867                 3.1266                 4.0165
 Frc consts  --      1.4980                 0.9734                 1.3420
 IR Inten    --      5.3118                20.3421                 7.6635
 RamAct Fr= 1--      6.5359                 1.8272                 3.3260
  Dep-P Fr= 1--      0.5157                 0.1647                 0.0821
  Dep-U Fr= 1--      0.6804                 0.2828                 0.1517
 Alpha2 Fr= 1--      0.0299                 0.0272                 0.0608
 Beta2  Fr= 1--      0.7412                 0.0861                 0.0841
 AlphaG Fr= 1--     -0.0509                -0.0080                 0.0018
 Gamma2 Fr= 1--     -0.2246                -0.6222                -0.5465
 Delta2 Fr= 1--     -0.0723                -0.0631                 0.1135
 Raman1 Fr= 1--      26.144                  7.309                 13.304
 ROA1   Fr= 1--     -23.879                -61.745                -48.831
 CID1   Fr= 1--      -0.913                 -8.448                 -3.670
 Raman2 Fr= 1--       8.895                  1.033                  1.009
 ROA2   Fr= 1--      -4.812                -14.427                -14.024
 CID2   Fr= 1--      -0.541                -13.962                -13.893
 Raman3 Fr= 1--      17.789                  2.067                  2.019
 ROA3   Fr= 1--     -23.879                -61.745                -48.831
 CID3   Fr= 1--      -1.342                -29.876                -24.188
 RC180  Fr= 1--       0.361                 -0.434                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.23  -0.04   0.18    -0.10   0.04   0.10    -0.01  -0.15   0.03
     2   6    -0.02  -0.05   0.08     0.05  -0.04  -0.02     0.08   0.22   0.07
     3   6    -0.25   0.07  -0.14    -0.10  -0.04   0.04     0.01   0.11   0.10
     4   6     0.02   0.01  -0.09    -0.03   0.08   0.03    -0.07  -0.21  -0.07
     5   6     0.24   0.03  -0.17    -0.08  -0.02  -0.02    -0.01   0.15  -0.02
     6   6     0.28  -0.08   0.16    -0.07   0.08  -0.01    -0.03  -0.10  -0.09
     7   6    -0.03  -0.01   0.03     0.16  -0.07  -0.05     0.04   0.07   0.00
     8   6     0.00   0.01   0.01     0.00   0.02   0.04     0.00  -0.02  -0.05
     9   6     0.00  -0.00   0.00    -0.01   0.03  -0.00     0.01  -0.06   0.01
    10   6     0.01   0.00   0.00    -0.02   0.00   0.01    -0.07   0.00  -0.01
    11   6     0.01   0.06  -0.07     0.13   0.03  -0.12    -0.00  -0.00   0.00
    12   6    -0.00   0.09   0.03     0.17  -0.01   0.01     0.20   0.06   0.01
    13   8    -0.01  -0.02   0.10    -0.05   0.02  -0.07    -0.06  -0.01  -0.00
    14   8    -0.01  -0.03  -0.07    -0.05  -0.05   0.09    -0.06  -0.02   0.01
    15   1    -0.11  -0.01   0.24    -0.22  -0.06   0.01    -0.08  -0.36  -0.07
    16   1    -0.19   0.13  -0.16    -0.13  -0.28  -0.03     0.09   0.31   0.12
    17   1     0.14   0.11  -0.19    -0.11  -0.25  -0.10     0.05   0.32   0.06
    18   1     0.24  -0.02   0.21    -0.16  -0.05   0.01    -0.12  -0.36  -0.13
    19   1     0.01  -0.11   0.04     0.20  -0.03  -0.04     0.04  -0.07  -0.00
    20   1    -0.07   0.02   0.14     0.21  -0.05  -0.04    -0.07   0.07   0.13
    21   1     0.02   0.03   0.02    -0.07  -0.03   0.02    -0.03  -0.05  -0.06
    22   1     0.00  -0.02   0.00    -0.01   0.06  -0.03     0.02  -0.06   0.04
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00   0.01
    24   1    -0.01   0.01  -0.01     0.01   0.05  -0.04     0.03  -0.10   0.06
    25   1     0.01   0.00   0.00    -0.14  -0.03  -0.03    -0.02   0.00   0.01
    26   1     0.02   0.00   0.00    -0.05  -0.04  -0.06    -0.08   0.02   0.02
    27   1     0.01   0.00   0.00     0.13  -0.05  -0.06    -0.12   0.02   0.02
    28   1    -0.01   0.03  -0.09     0.07  -0.04  -0.16    -0.04   0.04   0.01
    29   6    -0.03  -0.03  -0.05     0.02   0.01  -0.02    -0.00  -0.00  -0.00
    30   1     0.16   0.05  -0.33     0.35   0.05   0.22     0.28   0.07   0.00
    31   1    -0.11  -0.16  -0.12    -0.20  -0.20  -0.14     0.05  -0.02  -0.00
    32   1    -0.02  -0.07   0.02     0.07   0.08   0.24    -0.01  -0.10  -0.06
    33   1     0.02  -0.01   0.07    -0.02  -0.00   0.14     0.10   0.03   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    802.7577               823.2517               834.4854
 Red. masses --      2.3022                 3.8681                 2.8874
 Frc consts  --      0.8741                 1.5446                 1.1847
 IR Inten    --      7.5036                 7.1178                 1.5445
 RamAct Fr= 1--     28.6912                 1.9517                 2.9824
  Dep-P Fr= 1--      0.0443                 0.0686                 0.2786
  Dep-U Fr= 1--      0.0848                 0.1285                 0.4358
 Alpha2 Fr= 1--      0.5745                 0.0369                 0.0326
 Beta2  Fr= 1--      0.4057                 0.0418                 0.2166
 AlphaG Fr= 1--      0.1766                 0.0492                 0.0149
 Gamma2 Fr= 1--     -0.0248                -0.4078                 1.5564
 Delta2 Fr= 1--      0.4748                 0.5927                 0.2760
 Raman1 Fr= 1--     114.765                  7.807                 11.930
 ROA1   Fr= 1--      12.813                -20.179                158.245
 CID1   Fr= 1--       0.112                 -2.585                 13.265
 Raman2 Fr= 1--       4.868                  0.501                  2.600
 ROA2   Fr= 1--      -4.393                -14.528                 35.146
 CID2   Fr= 1--      -0.902                -28.973                 13.520
 Raman3 Fr= 1--       9.737                  1.003                  5.199
 ROA3   Fr= 1--      12.813                -20.179                158.245
 CID3   Fr= 1--       1.316                -20.121                 30.437
 RC180  Fr= 1--      -0.830                 -0.743                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.07   0.03   0.02     0.02  -0.02   0.02
     2   6     0.03   0.01  -0.00    -0.02  -0.12  -0.03    -0.00   0.07   0.02
     3   6    -0.00  -0.06   0.03     0.06  -0.05   0.01     0.04  -0.01   0.05
     4   6    -0.02   0.06   0.02    -0.04   0.13   0.06    -0.04  -0.05  -0.02
     5   6    -0.00  -0.05  -0.05     0.06  -0.01  -0.09     0.05  -0.00  -0.05
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.05  -0.02  -0.04
     7   6     0.01   0.13   0.04    -0.15   0.06   0.07    -0.10  -0.12  -0.02
     8   6     0.01  -0.00  -0.09    -0.01  -0.01  -0.03    -0.04  -0.04   0.09
     9   6     0.04  -0.12   0.03     0.01  -0.02   0.00    -0.06   0.14  -0.04
    10   6    -0.08   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.08  -0.08    -0.12   0.03   0.10    -0.08   0.13  -0.07
    12   6    -0.08  -0.08  -0.02     0.31   0.06  -0.02    -0.04  -0.08  -0.04
    13   8     0.03   0.00  -0.06    -0.07  -0.05  -0.04     0.02  -0.02  -0.08
    14   8     0.03  -0.03   0.08    -0.07  -0.03   0.04     0.03  -0.05   0.11
    15   1    -0.03   0.33   0.15     0.11   0.15   0.08     0.00  -0.11  -0.01
    16   1     0.04   0.22   0.12     0.14  -0.19  -0.10     0.09   0.07   0.04
    17   1     0.06   0.30   0.09     0.14  -0.15  -0.10     0.14   0.24   0.06
    18   1     0.01   0.39   0.12     0.06   0.22   0.02     0.07   0.03  -0.03
    19   1     0.06  -0.05   0.05    -0.20   0.12   0.06    -0.16   0.01  -0.03
    20   1    -0.02   0.19   0.19    -0.09   0.04  -0.02    -0.20  -0.22  -0.16
    21   1     0.07   0.02  -0.07     0.12   0.08   0.01    -0.07  -0.04   0.08
    22   1     0.04  -0.18   0.11     0.01  -0.04   0.03    -0.05   0.26  -0.14
    23   1    -0.01   0.00   0.02    -0.01   0.04   0.00     0.02   0.02  -0.02
    24   1     0.02  -0.15   0.10    -0.00  -0.04   0.04    -0.01   0.15  -0.10
    25   1     0.10   0.01   0.04     0.19   0.03   0.04    -0.06   0.02  -0.03
    26   1    -0.13   0.04   0.07     0.05   0.04   0.07     0.25  -0.02  -0.07
    27   1    -0.23   0.04   0.07    -0.15   0.05   0.07     0.18  -0.00  -0.07
    28   1    -0.01   0.01  -0.11    -0.18   0.18   0.14    -0.14   0.10  -0.10
    29   6     0.03   0.05   0.01    -0.09  -0.05  -0.05     0.01   0.08   0.02
    30   1    -0.05  -0.07   0.19     0.18   0.02   0.16    -0.02  -0.09   0.25
    31   1    -0.11  -0.13  -0.08     0.12   0.01   0.01    -0.03  -0.16  -0.07
    32   1     0.05   0.03   0.16    -0.14  -0.26  -0.31     0.01  -0.13   0.04
    33   1     0.05   0.06   0.18     0.13   0.02  -0.02     0.23   0.16   0.31
                     31                     32                     33
                      A                      A                      A
 Frequencies --    851.3763               857.2046               872.8283
 Red. masses --      1.2785                 3.4398                 1.9483
 Frc consts  --      0.5460                 1.4892                 0.8745
 IR Inten    --      0.4032                 2.9320                20.7953
 RamAct Fr= 1--      2.1547                16.7390                 8.3252
  Dep-P Fr= 1--      0.5789                 0.1118                 0.0465
  Dep-U Fr= 1--      0.7333                 0.2012                 0.0889
 Alpha2 Fr= 1--      0.0069                 0.2847                 0.1658
 Beta2  Fr= 1--      0.2633                 0.5612                 0.1234
 AlphaG Fr= 1--      0.0308                -0.1483                 0.1325
 Gamma2 Fr= 1--      0.8403                 0.7875                -0.9038
 Delta2 Fr= 1--      0.1791                -0.4192                -0.4772
 Raman1 Fr= 1--       8.619                 66.956                 33.301
 ROA1   Fr= 1--      86.400                 62.186               -102.034
 CID1   Fr= 1--      10.025                  0.929                 -3.064
 Raman2 Fr= 1--       3.160                  6.734                  1.481
 ROA2   Fr= 1--      18.735                 22.253                -17.873
 CID2   Fr= 1--       5.929                  3.304                -12.068
 Raman3 Fr= 1--       6.320                 13.469                  2.962
 ROA3   Fr= 1--      86.400                 62.186               -102.034
 CID3   Fr= 1--      13.671                  4.617                -34.447
 RC180  Fr= 1--       0.467                 -0.598                 -0.822
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.07  -0.15    -0.01  -0.07  -0.03
     2   6     0.00   0.01   0.00    -0.03   0.03   0.01     0.02   0.12   0.04
     3   6     0.00   0.06   0.03    -0.05   0.08  -0.16    -0.02  -0.07  -0.04
     4   6     0.00   0.01   0.00     0.04  -0.01  -0.01     0.02   0.11   0.04
     5   6    -0.01  -0.07  -0.03    -0.03  -0.07   0.16    -0.03  -0.06  -0.00
     6   6    -0.01  -0.07  -0.04     0.04  -0.08   0.16    -0.02  -0.06  -0.01
     7   6     0.00  -0.01   0.01     0.14   0.00  -0.06     0.05  -0.05  -0.05
     8   6    -0.00  -0.00  -0.00     0.03   0.03  -0.01    -0.01  -0.03   0.03
     9   6    -0.00   0.00  -0.00     0.02  -0.04   0.02    -0.03   0.06  -0.02
    10   6    -0.00  -0.00  -0.00    -0.06   0.02   0.01     0.03  -0.01   0.02
    11   6     0.02  -0.02   0.01    -0.14   0.10   0.03     0.03  -0.03   0.05
    12   6    -0.00   0.01   0.00     0.06  -0.03  -0.03     0.07   0.02   0.01
    13   8    -0.00   0.00   0.01    -0.00  -0.03  -0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.01  -0.02    -0.00  -0.04   0.07    -0.02   0.01  -0.03
    15   1    -0.05  -0.45  -0.15     0.13  -0.14  -0.17     0.04   0.44   0.15
    16   1    -0.04  -0.45  -0.15    -0.17  -0.03  -0.13     0.02   0.43   0.14
    17   1     0.04   0.48   0.15    -0.17   0.13   0.17    -0.02   0.35   0.12
    18   1     0.02   0.47   0.16     0.15  -0.00   0.12    -0.01   0.33   0.14
    19   1    -0.01   0.04   0.01     0.22  -0.12  -0.04     0.05  -0.13  -0.05
    20   1     0.01  -0.02  -0.03     0.15   0.07   0.09    -0.08  -0.08   0.00
    21   1     0.02   0.02   0.00    -0.06  -0.04  -0.04    -0.13  -0.10  -0.00
    22   1    -0.00   0.01  -0.00     0.02  -0.11   0.04    -0.02   0.13  -0.07
    23   1    -0.00   0.02  -0.00    -0.01  -0.05   0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01    -0.01  -0.01  -0.00     0.00   0.06  -0.05
    25   1     0.01   0.00   0.00    -0.13  -0.04  -0.02    -0.16   0.00  -0.04
    26   1    -0.01   0.00   0.00    -0.16  -0.02  -0.03     0.10  -0.03  -0.07
    27   1    -0.01   0.00   0.01     0.08  -0.04  -0.03     0.14  -0.01  -0.08
    28   1     0.03  -0.04   0.01    -0.19   0.18   0.05     0.06  -0.00   0.07
    29   6     0.00  -0.01  -0.00    -0.06   0.03  -0.00    -0.03  -0.06  -0.03
    30   1    -0.01   0.01  -0.04     0.01  -0.05   0.19     0.03   0.03  -0.04
    31   1    -0.01   0.03   0.01     0.11  -0.05   0.00     0.01   0.07   0.02
    32   1     0.01   0.04   0.01    -0.11  -0.27  -0.25    -0.03   0.03  -0.06
    33   1    -0.05  -0.03  -0.05     0.25   0.13   0.16    -0.12  -0.09  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.0638               936.4969               955.6550
 Red. masses --      1.5004                 1.1980                 1.7201
 Frc consts  --      0.7114                 0.6190                 0.9256
 IR Inten    --      1.3825                 1.9276                 0.3947
 RamAct Fr= 1--      2.4129                 1.4650                 4.9719
  Dep-P Fr= 1--      0.7194                 0.4579                 0.7203
  Dep-U Fr= 1--      0.8368                 0.6282                 0.8374
 Alpha2 Fr= 1--      0.0013                 0.0087                 0.0025
 Beta2  Fr= 1--      0.3365                 0.1534                 0.6939
 AlphaG Fr= 1--     -0.0030                -0.0243                -0.0241
 Gamma2 Fr= 1--      0.2431                 0.3573                 0.6889
 Delta2 Fr= 1--      0.0956                 0.7161                -0.4262
 Raman1 Fr= 1--       9.652                  5.860                 19.887
 ROA1   Fr= 1--      26.403                 57.215                 52.495
 CID1   Fr= 1--       2.736                  9.764                  2.640
 Raman2 Fr= 1--       4.038                  1.841                  8.327
 ROA2   Fr= 1--       5.070                  2.846                 19.943
 CID2   Fr= 1--       1.256                  1.546                  2.395
 Raman3 Fr= 1--       8.077                  3.681                 16.654
 ROA3   Fr= 1--      26.403                 57.215                 52.495
 CID3   Fr= 1--       3.269                 15.543                  3.152
 RC180  Fr= 1--       0.674                  0.256                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.04    -0.00   0.00  -0.01    -0.00   0.00   0.01
     2   6     0.01   0.03   0.02     0.01   0.01   0.00    -0.02   0.00   0.01
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.03   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.01  -0.07  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.08   0.00
     7   6     0.06  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.11  -0.02
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.08   0.09   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.06  -0.03   0.04
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.07   0.08  -0.01
    11   6     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.02   0.06  -0.03    -0.00  -0.00  -0.01    -0.01  -0.04  -0.01
    16   1    -0.09   0.12   0.05    -0.02   0.04   0.01     0.02   0.12   0.06
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.08   0.47   0.14
    18   1     0.02  -0.00  -0.03    -0.00  -0.01   0.00    -0.03  -0.41  -0.18
    19   1    -0.10   0.49   0.11     0.03   0.02   0.01    -0.19  -0.01  -0.05
    20   1     0.20  -0.25  -0.41     0.05   0.02   0.01    -0.03  -0.15  -0.15
    21   1     0.14   0.27   0.03     0.25  -0.23   0.07     0.15   0.09   0.03
    22   1     0.01   0.13   0.10    -0.04   0.39  -0.29     0.03  -0.24   0.06
    23   1    -0.03   0.35  -0.04     0.25  -0.35   0.10    -0.03  -0.10   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.10    -0.08   0.13  -0.07
    25   1     0.11   0.01   0.03     0.44  -0.14   0.06    -0.01  -0.11   0.01
    26   1    -0.05   0.02   0.04    -0.31   0.01   0.16    -0.44  -0.02   0.04
    27   1    -0.15   0.01   0.07    -0.01  -0.09   0.16     0.16  -0.11   0.04
    28   1    -0.02   0.00  -0.01    -0.00  -0.00   0.00     0.02   0.02   0.02
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    31   1    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    32   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00  -0.01
    33   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.9428               971.9055               974.3107
 Red. masses --      1.5107                 1.4388                 1.4561
 Frc consts  --      0.8219                 0.8008                 0.8144
 IR Inten    --      0.0411                 0.0452                 0.0419
 RamAct Fr= 1--      0.8911                 1.9414                 2.2763
  Dep-P Fr= 1--      0.7172                 0.4167                 0.5832
  Dep-U Fr= 1--      0.8353                 0.5882                 0.7368
 Alpha2 Fr= 1--      0.0005                 0.0135                 0.0071
 Beta2  Fr= 1--      0.1241                 0.1903                 0.2795
 AlphaG Fr= 1--      0.0041                -0.0256                -0.0072
 Gamma2 Fr= 1--      0.7634                -0.1936                 0.9884
 Delta2 Fr= 1--      0.4555                -0.2665                 0.9730
 Raman1 Fr= 1--       3.565                  7.766                  9.105
 ROA1   Fr= 1--      87.858                -27.117                126.024
 CID1   Fr= 1--      24.648                 -3.492                 13.841
 Raman2 Fr= 1--       1.489                  2.284                  3.354
 ROA2   Fr= 1--      14.677                 -2.515                 15.939
 CID2   Fr= 1--       9.858                 -1.101                  4.752
 Raman3 Fr= 1--       2.978                  4.568                  6.708
 ROA3   Fr= 1--      87.858                -27.117                126.024
 CID3   Fr= 1--      29.507                 -5.936                 18.786
 RC180  Fr= 1--       0.671                  0.176                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.00  -0.05  -0.01    -0.01  -0.10  -0.05
     2   6    -0.01   0.03   0.01    -0.01   0.01   0.00     0.00   0.03   0.01
     3   6     0.00  -0.05  -0.01     0.01   0.04   0.02     0.01   0.10   0.03
     4   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.09   0.02     0.01   0.01  -0.01     0.00   0.01   0.01
     6   6    -0.01  -0.10  -0.05     0.00  -0.00  -0.00     0.00  -0.02  -0.00
     7   6    -0.03  -0.08  -0.02    -0.02   0.00  -0.01     0.00  -0.05  -0.00
     8   6     0.05   0.05   0.01    -0.06   0.06  -0.02     0.06  -0.01   0.01
     9   6     0.03  -0.02   0.02    -0.03  -0.11  -0.01     0.02   0.05   0.01
    10   6    -0.04   0.06   0.00     0.08   0.07   0.03    -0.06   0.00  -0.01
    11   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.19  -0.06     0.03   0.25   0.09     0.05   0.59   0.19
    16   1     0.03   0.22   0.09    -0.00  -0.26  -0.09    -0.05  -0.56  -0.21
    17   1    -0.01  -0.51  -0.18     0.01  -0.02  -0.01    -0.00  -0.10  -0.03
    18   1     0.05   0.56   0.18     0.01   0.02   0.00     0.02   0.11   0.04
    19   1    -0.13  -0.03  -0.04    -0.05  -0.01  -0.01    -0.05  -0.01  -0.01
    20   1    -0.05  -0.12  -0.10    -0.04  -0.01  -0.01    -0.03  -0.09  -0.08
    21   1     0.09   0.05   0.02    -0.22   0.17  -0.06     0.16  -0.07   0.04
    22   1     0.02  -0.12   0.03     0.02   0.17   0.07    -0.01  -0.10  -0.03
    23   1    -0.01  -0.07   0.01     0.07   0.14   0.03    -0.02  -0.09  -0.01
    24   1    -0.04   0.07  -0.04     0.19  -0.39   0.24    -0.09   0.21  -0.13
    25   1    -0.03  -0.08   0.00    -0.14  -0.13  -0.04     0.05   0.01   0.02
    26   1    -0.30  -0.02   0.01    -0.21  -0.09  -0.11    -0.08   0.03   0.05
    27   1     0.16  -0.08   0.02     0.53  -0.15  -0.08    -0.15   0.02   0.05
    28   1    -0.01   0.00  -0.01    -0.01  -0.02  -0.01    -0.05  -0.05  -0.03
    29   6     0.00   0.01   0.00     0.01   0.01   0.01     0.02   0.02   0.01
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    31   1     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02  -0.02  -0.01
    32   1     0.00  -0.01   0.01     0.01   0.00   0.01     0.02   0.01   0.04
    33   1     0.02   0.01   0.02     0.01   0.01   0.02     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.8744              1044.7970              1059.9139
 Red. masses --      1.9411                 2.8670                 1.7423
 Frc consts  --      1.1479                 1.8439                 1.1532
 IR Inten    --     26.5497                17.1245                64.8160
 RamAct Fr= 1--      8.6896                 0.7135                 3.7493
  Dep-P Fr= 1--      0.3606                 0.1502                 0.2336
  Dep-U Fr= 1--      0.5301                 0.2612                 0.3787
 Alpha2 Fr= 1--      0.0737                 0.0110                 0.0465
 Beta2  Fr= 1--      0.7677                 0.0311                 0.2366
 AlphaG Fr= 1--      0.1137                 0.0103                 0.0438
 Gamma2 Fr= 1--     -0.2754                 0.0010                -0.7652
 Delta2 Fr= 1--     -0.7648                -0.2549                -1.1263
 Raman1 Fr= 1--      34.758                  2.854                 14.997
 ROA1   Fr= 1--     -50.910                 -8.062               -109.506
 CID1   Fr= 1--      -1.465                 -2.825                 -7.302
 Raman2 Fr= 1--       9.212                  0.373                  2.840
 ROA2   Fr= 1--      -0.490                  2.063                 -9.355
 CID2   Fr= 1--      -0.053                  5.536                 -3.294
 Raman3 Fr= 1--      18.425                  0.745                  5.680
 ROA3   Fr= 1--     -50.910                 -8.062               -109.506
 CID3   Fr= 1--      -2.763                -10.815                -19.281
 RC180  Fr= 1--       0.060                 -0.478                 -0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.04    -0.02  -0.07   0.20     0.03  -0.00   0.01
     2   6    -0.00   0.01  -0.01     0.03  -0.01  -0.00     0.01  -0.00   0.01
     3   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     4   6     0.05  -0.03  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6    -0.00   0.02   0.02    -0.01  -0.06   0.17    -0.00  -0.02   0.05
     6   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     7   6     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.00  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.04     0.00  -0.04   0.10
    15   1    -0.09   0.06   0.05     0.25  -0.12   0.31     0.17  -0.05   0.06
    16   1    -0.02  -0.15  -0.01     0.19   0.08  -0.33     0.10   0.08  -0.15
    17   1    -0.03  -0.09  -0.03     0.27  -0.12   0.28     0.11  -0.04   0.09
    18   1    -0.01   0.04  -0.02     0.19   0.11  -0.37     0.11   0.01  -0.09
    19   1     0.03   0.02   0.01    -0.07  -0.02  -0.01    -0.05  -0.01  -0.01
    20   1    -0.01  -0.02  -0.01    -0.02  -0.00   0.00     0.01   0.01   0.00
    21   1     0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
    22   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.02   0.00
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    25   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    26   1    -0.01   0.00   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    27   1    -0.02   0.00   0.01     0.02  -0.00  -0.01     0.02  -0.00  -0.01
    28   1     0.34   0.51   0.20     0.04  -0.11  -0.01    -0.31   0.23  -0.00
    29   6    -0.09  -0.11  -0.03    -0.04   0.03  -0.01     0.11  -0.06   0.03
    30   1     0.03  -0.02  -0.04    -0.01  -0.00   0.08     0.01   0.00  -0.20
    31   1     0.19   0.24   0.13     0.03  -0.12  -0.05    -0.14   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.07  -0.18  -0.10     0.18   0.41   0.31
    33   1    -0.08  -0.12  -0.38     0.16   0.10   0.16    -0.37  -0.22  -0.30
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.3827              1111.9344              1138.9599
 Red. masses --      1.9097                 1.7666                 2.2052
 Frc consts  --      1.3353                 1.2869                 1.6855
 IR Inten    --      7.3777                 1.5399                 0.3761
 RamAct Fr= 1--      2.9002                 5.5336                21.7343
  Dep-P Fr= 1--      0.5547                 0.2481                 0.3731
  Dep-U Fr= 1--      0.7136                 0.3976                 0.5435
 Alpha2 Fr= 1--      0.0108                 0.0659                 0.1767
 Beta2  Fr= 1--      0.3449                 0.3667                 1.9687
 AlphaG Fr= 1--     -0.0342                -0.0724                 0.0557
 Gamma2 Fr= 1--      1.5026                -2.2990                -3.3811
 Delta2 Fr= 1--      2.5362                -1.3418                -1.9878
 Raman1 Fr= 1--      11.601                 22.134                 86.937
 ROA1   Fr= 1--     225.406               -263.643               -388.197
 CID1   Fr= 1--      19.430                -11.911                 -4.465
 Raman2 Fr= 1--       4.139                  4.401                 23.624
 ROA2   Fr= 1--      15.772                -44.442                -65.244
 CID2   Fr= 1--       3.810                -10.099                 -2.762
 Raman3 Fr= 1--       8.278                  8.801                 47.248
 ROA3   Fr= 1--     225.406               -263.643               -388.197
 CID3   Fr= 1--      27.229                -29.956                 -8.216
 RC180  Fr= 1--       0.427                 -0.205                  0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.06     0.01  -0.01   0.03     0.01   0.02  -0.00
     2   6     0.01  -0.01   0.07    -0.01  -0.00  -0.04    -0.03  -0.06   0.00
     3   6    -0.03   0.02  -0.02     0.02   0.01  -0.01    -0.01   0.00   0.00
     4   6     0.02  -0.05   0.05    -0.01  -0.03  -0.01     0.02  -0.00   0.01
     5   6     0.03   0.03  -0.05    -0.02   0.01   0.00     0.03   0.00  -0.02
     6   6    -0.04   0.02  -0.04     0.00  -0.01   0.03    -0.02   0.02  -0.01
     7   6     0.01  -0.00   0.06    -0.02   0.02  -0.08     0.02   0.10   0.05
     8   6    -0.03   0.01  -0.07     0.05  -0.02   0.08     0.18  -0.15  -0.04
     9   6     0.01   0.00   0.05    -0.02   0.00  -0.06    -0.07   0.05  -0.05
    10   6     0.02  -0.01   0.03    -0.03   0.01  -0.02    -0.08   0.07   0.09
    11   6     0.05   0.07   0.15     0.03   0.07   0.15    -0.01  -0.01  -0.02
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.01  -0.00
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    14   8     0.01  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.01
    15   1     0.14   0.01  -0.01     0.06  -0.04   0.04     0.12  -0.08   0.02
    16   1    -0.22  -0.05   0.08     0.13  -0.00  -0.09    -0.12  -0.02   0.07
    17   1     0.18  -0.05  -0.01    -0.13  -0.02  -0.05     0.14  -0.02   0.02
    18   1    -0.21  -0.00   0.07    -0.03  -0.02   0.05    -0.11  -0.05   0.03
    19   1    -0.36  -0.03  -0.04     0.39  -0.01   0.03    -0.12  -0.09   0.01
    20   1     0.36   0.12  -0.00    -0.42  -0.10   0.03    -0.19  -0.01   0.01
    21   1    -0.19  -0.17  -0.11     0.21   0.14   0.13     0.21  -0.48  -0.04
    22   1    -0.01  -0.07  -0.06     0.01   0.10   0.07    -0.04   0.29  -0.11
    23   1     0.01  -0.20   0.03    -0.01   0.23  -0.04     0.07   0.13  -0.02
    24   1    -0.03   0.12  -0.10     0.04  -0.14   0.12     0.11  -0.08  -0.01
    25   1    -0.10   0.02  -0.02     0.09  -0.02   0.02    -0.43  -0.09  -0.03
    26   1     0.10  -0.02  -0.06    -0.12   0.02   0.06    -0.23  -0.08  -0.12
    27   1     0.07   0.01  -0.06    -0.07  -0.02   0.06     0.23  -0.04  -0.08
    28   1    -0.16   0.07   0.10    -0.13   0.04   0.11    -0.01  -0.00  -0.02
    29   6    -0.00  -0.02  -0.12     0.02  -0.02  -0.11    -0.00   0.01   0.02
    30   1    -0.00  -0.01   0.08     0.00  -0.01   0.11    -0.00   0.01  -0.05
    31   1    -0.27  -0.24  -0.24    -0.28  -0.21  -0.23     0.04   0.03   0.03
    32   1     0.05   0.01   0.18     0.08   0.06   0.24    -0.02  -0.02  -0.04
    33   1    -0.10  -0.04   0.09    -0.14  -0.06   0.08     0.03   0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1152.6767              1186.8430              1193.8634
 Red. masses --      1.3963                 2.0797                 1.7720
 Frc consts  --      1.0931                 1.7260                 1.4881
 IR Inten    --      0.9080               139.9553                 9.5501
 RamAct Fr= 1--      0.7688                 7.3965                 2.3603
  Dep-P Fr= 1--      0.6069                 0.2617                 0.6231
  Dep-U Fr= 1--      0.7554                 0.4149                 0.7678
 Alpha2 Fr= 1--      0.0020                 0.0848                 0.0055
 Beta2  Fr= 1--      0.0968                 0.5114                 0.3020
 AlphaG Fr= 1--      0.0098                -0.0604                 0.0041
 Gamma2 Fr= 1--     -0.1150                 1.0286                -1.4371
 Delta2 Fr= 1--      0.2036                 0.4100                 0.5632
 Raman1 Fr= 1--       3.075                 29.586                  9.441
 ROA1   Fr= 1--      -4.523                111.860               -119.937
 CID1   Fr= 1--      -1.471                  3.781                -12.704
 Raman2 Fr= 1--       1.161                  6.137                  3.625
 ROA2   Fr= 1--      -4.389                 21.406                -38.995
 CID2   Fr= 1--      -3.779                  3.488                -10.759
 Raman3 Fr= 1--       2.323                 12.274                  7.249
 ROA3   Fr= 1--      -4.523                111.860               -119.937
 CID3   Fr= 1--      -1.947                  9.114                -16.545
 RC180  Fr= 1--       0.511                 -0.170                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00   0.01     0.04   0.01  -0.03    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.02  -0.00  -0.01     0.01  -0.00   0.01
     3   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.00  -0.00  -0.00
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.02     0.01  -0.00   0.00
     5   6    -0.07   0.00   0.02     0.01  -0.01   0.03    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.01     0.02  -0.01   0.02     0.00   0.00  -0.01
     7   6     0.01   0.01   0.06    -0.01   0.00   0.00    -0.02  -0.04  -0.05
     8   6     0.02  -0.03  -0.05     0.01   0.00  -0.00     0.12   0.15  -0.02
     9   6    -0.01   0.01   0.02    -0.01  -0.00   0.00    -0.10  -0.06   0.04
    10   6    -0.01   0.01   0.03    -0.00  -0.00   0.01    -0.05  -0.10   0.05
    11   6     0.00   0.02   0.04    -0.03   0.12  -0.07     0.00  -0.00   0.00
    12   6     0.00  -0.01   0.01     0.04  -0.10   0.10    -0.00   0.00  -0.00
    13   8    -0.00   0.00   0.01    -0.01   0.04   0.05     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.02     0.00  -0.00  -0.14    -0.00   0.00   0.01
    15   1    -0.42   0.07  -0.13     0.11  -0.01  -0.00    -0.02   0.02  -0.01
    16   1     0.37   0.04  -0.19    -0.06  -0.03  -0.00    -0.02  -0.00   0.01
    17   1    -0.38   0.05  -0.10     0.25  -0.08   0.12    -0.02   0.01  -0.01
    18   1     0.45   0.04  -0.25    -0.03  -0.02   0.05     0.02   0.01  -0.02
    19   1    -0.18   0.03   0.01    -0.05  -0.01  -0.01    -0.19  -0.17  -0.10
    20   1     0.13   0.02  -0.04    -0.02  -0.00  -0.00     0.04   0.01  -0.01
    21   1    -0.03  -0.14  -0.07     0.02   0.01  -0.00     0.28   0.33   0.03
    22   1    -0.01   0.02  -0.06    -0.00   0.02  -0.01    -0.05   0.33  -0.11
    23   1     0.02  -0.09   0.02     0.01  -0.01   0.01     0.26  -0.15   0.11
    24   1     0.01   0.05  -0.06     0.01  -0.01  -0.00     0.23  -0.25   0.03
    25   1    -0.14  -0.01  -0.01    -0.02   0.01  -0.00    -0.23   0.22  -0.00
    26   1    -0.00  -0.03  -0.06     0.01  -0.00  -0.01     0.34   0.01  -0.03
    27   1     0.09  -0.00  -0.05    -0.00   0.01  -0.01    -0.26   0.15  -0.10
    28   1     0.02  -0.00   0.03     0.20   0.14  -0.01    -0.02  -0.00  -0.00
    29   6     0.01  -0.01  -0.03     0.03  -0.07   0.01    -0.00   0.00   0.00
    30   1     0.00  -0.01   0.11     0.02  -0.11   0.75    -0.00   0.00  -0.03
    31   1    -0.07  -0.03  -0.05    -0.02   0.19   0.09     0.00  -0.01  -0.00
    32   1     0.03   0.03   0.08     0.05   0.22   0.02    -0.00  -0.01  -0.00
    33   1    -0.05  -0.03   0.01    -0.14  -0.12  -0.19     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1197              1221.2546              1237.0447
 Red. masses --      1.2992                 2.1025                 2.3291
 Frc consts  --      1.1265                 1.8475                 2.0999
 IR Inten    --      4.1673                 9.8177                 1.9744
 RamAct Fr= 1--     42.1172                30.4106                33.8614
  Dep-P Fr= 1--      0.1028                 0.1489                 0.1186
  Dep-U Fr= 1--      0.1865                 0.2592                 0.2121
 Alpha2 Fr= 1--      0.7323                 0.4714                 0.5663
 Beta2  Fr= 1--      1.3089                 1.3140                 1.1971
 AlphaG Fr= 1--      0.1653                 0.1722                 0.1021
 Gamma2 Fr= 1--     -5.5985                 1.0138                 2.1714
 Delta2 Fr= 1--     -1.2950                 0.1417                -0.2330
 Raman1 Fr= 1--     168.469                121.642                135.446
 ROA1   Fr= 1--    -578.899                101.857                201.003
 CID1   Fr= 1--      -3.436                  0.837                  1.484
 Raman2 Fr= 1--      15.707                 15.768                 14.365
 ROA2   Fr= 1--    -124.004                 23.197                 53.978
 CID2   Fr= 1--      -7.895                  1.471                  3.758
 Raman3 Fr= 1--      31.415                 31.535                 28.730
 ROA3   Fr= 1--    -578.899                101.857                201.003
 CID3   Fr= 1--     -18.428                  3.230                  6.996
 RC180  Fr= 1--      -0.627                 -0.482                 -0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.03     0.04   0.00  -0.01
     2   6     0.05  -0.00  -0.01    -0.03   0.00   0.02     0.28  -0.04  -0.01
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.02  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.01     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.02    -0.08  -0.01   0.05
     6   6    -0.01  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.07
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.05  -0.01   0.01    -0.11   0.02  -0.02     0.01  -0.00  -0.00
    12   6    -0.01   0.01  -0.01     0.01  -0.02   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.38   0.10  -0.19    -0.50   0.08  -0.12    -0.28   0.07  -0.15
    16   1     0.39   0.08  -0.29     0.21   0.02  -0.11    -0.33  -0.02   0.12
    17   1     0.48  -0.11   0.23     0.04   0.00  -0.04    -0.42   0.06  -0.08
    18   1    -0.31  -0.07   0.26    -0.43  -0.03   0.21    -0.14  -0.03   0.12
    19   1    -0.07  -0.00  -0.00     0.01  -0.02  -0.01    -0.51  -0.20  -0.08
    20   1    -0.04  -0.01   0.00     0.06   0.03   0.03    -0.23  -0.01   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00  -0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.02  -0.02   0.05
    28   1     0.19  -0.05   0.02    -0.47   0.12  -0.05    -0.12   0.03  -0.02
    29   6    -0.02   0.01  -0.02     0.03  -0.02   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.13     0.00  -0.04   0.23    -0.00   0.00  -0.01
    31   1     0.02  -0.05  -0.03    -0.03   0.09   0.06     0.01   0.01   0.01
    32   1    -0.01  -0.05   0.01     0.02   0.08   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.08  -0.05  -0.07     0.01   0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.9938              1297.6698              1318.8742
 Red. masses --      1.5924                 2.0473                 1.3479
 Frc consts  --      1.4636                 2.0313                 1.3813
 IR Inten    --      1.2743                 0.8301                 1.2815
 RamAct Fr= 1--      6.0982                 2.9532                20.4637
  Dep-P Fr= 1--      0.5687                 0.2149                 0.2777
  Dep-U Fr= 1--      0.7251                 0.3538                 0.4347
 Alpha2 Fr= 1--      0.0209                 0.0385                 0.2241
 Beta2  Fr= 1--      0.7369                 0.1741                 1.4826
 AlphaG Fr= 1--     -0.0296                 0.0007                -0.0239
 Gamma2 Fr= 1--     -2.7705                 1.0981                -2.5374
 Delta2 Fr= 1--      0.2165                -0.0866                 0.5010
 Raman1 Fr= 1--      24.393                 11.813                 81.855
 ROA1   Fr= 1--    -259.044                102.650               -227.555
 CID1   Fr= 1--     -10.620                  8.690                 -2.780
 Raman2 Fr= 1--       8.843                  2.090                 17.792
 ROA2   Fr= 1--     -68.225                 27.048                -64.905
 CID2   Fr= 1--      -7.715                 12.944                 -3.648
 Raman3 Fr= 1--      17.687                  4.179                 35.583
 ROA3   Fr= 1--    -259.044                102.650               -227.555
 CID3   Fr= 1--     -14.646                 24.562                 -6.395
 RC180  Fr= 1--       0.450                 -0.292                 -0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.04    -0.04   0.02  -0.05     0.02  -0.01   0.01
     2   6    -0.06  -0.00   0.08    -0.00  -0.02   0.04     0.05   0.03  -0.02
     3   6     0.03  -0.00  -0.00     0.02   0.01  -0.05    -0.02   0.00  -0.00
     4   6    -0.04  -0.01   0.03    -0.06  -0.04   0.17    -0.00   0.00  -0.00
     5   6    -0.01   0.01  -0.03    -0.05   0.02  -0.05    -0.00  -0.01   0.02
     6   6     0.01   0.00  -0.02     0.06   0.01  -0.03     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.06     0.00   0.00  -0.00    -0.11  -0.05  -0.03
     8   6     0.01   0.00   0.14     0.00  -0.00  -0.01    -0.05  -0.02  -0.04
     9   6    -0.00  -0.02  -0.09    -0.00   0.00   0.01     0.02  -0.00  -0.01
    10   6    -0.01  -0.00  -0.04     0.00  -0.00   0.00    -0.00   0.02   0.06
    11   6     0.02  -0.00  -0.01     0.16  -0.05  -0.05     0.01  -0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00   0.02   0.04    -0.00   0.00   0.00
    14   8     0.00   0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.02     0.28  -0.05   0.07    -0.00   0.02   0.01
    16   1     0.05   0.01  -0.02     0.28   0.06  -0.23    -0.00   0.01  -0.02
    17   1     0.13  -0.01   0.03    -0.17   0.06  -0.10    -0.10   0.02  -0.02
    18   1     0.20   0.05  -0.15    -0.11  -0.02   0.08    -0.08  -0.00   0.06
    19   1    -0.31  -0.30  -0.14     0.12   0.04   0.02     0.29   0.23   0.07
    20   1     0.47   0.28   0.18    -0.13  -0.06  -0.03     0.45   0.29   0.19
    21   1     0.09  -0.23   0.16    -0.05   0.07  -0.03     0.61  -0.06   0.14
    22   1     0.03   0.06   0.16    -0.01  -0.00  -0.02     0.01  -0.01  -0.01
    23   1    -0.05   0.31  -0.07     0.01  -0.04   0.01    -0.06   0.07  -0.03
    24   1    -0.03  -0.14   0.15     0.01   0.02  -0.02    -0.04   0.02   0.00
    25   1     0.14  -0.01   0.01     0.00   0.00  -0.00    -0.14  -0.02   0.01
    26   1    -0.05   0.05   0.11    -0.00  -0.00  -0.01     0.06  -0.04  -0.11
    27   1    -0.08  -0.04   0.10    -0.00   0.01  -0.01     0.16  -0.00  -0.08
    28   1     0.05   0.00  -0.00    -0.58   0.29  -0.07    -0.06   0.03  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.23     0.00  -0.00   0.02
    31   1     0.02   0.00   0.01     0.18  -0.01   0.07     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.01    -0.08  -0.10  -0.11    -0.00  -0.01  -0.01
    33   1     0.02   0.01   0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0052              1346.0835              1352.6889
 Red. masses --      1.8151                 1.7080                 1.8224
 Frc consts  --      1.9232                 1.8234                 1.9647
 IR Inten    --      4.5809                18.4799                11.9520
 RamAct Fr= 1--      7.4849                 4.2161                 4.4202
  Dep-P Fr= 1--      0.6319                 0.7212                 0.7499
  Dep-U Fr= 1--      0.7744                 0.8381                 0.8571
 Alpha2 Fr= 1--      0.0161                 0.0021                 0.0000
 Beta2  Fr= 1--      0.9661                 0.5889                 0.6314
 AlphaG Fr= 1--      0.0945                 0.0195                -0.0014
 Gamma2 Fr= 1--      0.2657                 3.0265                 2.5288
 Delta2 Fr= 1--     -0.7767                 2.8421                 1.4023
 Raman1 Fr= 1--      29.940                 16.864                 17.681
 ROA1   Fr= 1--       0.652                381.497                287.635
 CID1   Fr= 1--       0.022                 22.622                 16.268
 Raman2 Fr= 1--      11.593                  7.067                  7.577
 ROA2   Fr= 1--      12.589                 49.900                 49.472
 CID2   Fr= 1--       1.086                  7.061                  6.530
 Raman3 Fr= 1--      23.185                 14.133                 15.153
 ROA3   Fr= 1--       0.652                381.497                287.635
 CID3   Fr= 1--       0.028                 26.993                 18.981
 RC180  Fr= 1--       0.549                  0.676                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.02    -0.03   0.01  -0.01    -0.03   0.01  -0.02
     2   6    -0.01   0.02  -0.05     0.01  -0.03   0.08     0.02  -0.05   0.13
     3   6    -0.04  -0.01   0.03     0.05   0.01  -0.04     0.06   0.01  -0.05
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.03     0.01  -0.00   0.01
     5   6     0.04  -0.01   0.02    -0.06   0.01  -0.02    -0.08   0.02  -0.03
     6   6    -0.04  -0.01   0.03     0.03   0.01  -0.02     0.03   0.01  -0.03
     7   6     0.01  -0.00   0.01    -0.00   0.01  -0.02     0.01   0.03  -0.04
     8   6     0.01   0.01   0.01    -0.02  -0.03  -0.01    -0.03  -0.07  -0.02
     9   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.01   0.03
    10   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.02   0.01
    11   6    -0.01  -0.16  -0.03    -0.04  -0.04  -0.04    -0.01  -0.02   0.02
    12   6    -0.03   0.07  -0.08     0.03  -0.13   0.11    -0.02   0.12  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02     0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.05   0.00
    15   1    -0.05   0.01  -0.02    -0.12   0.02  -0.05    -0.24   0.05  -0.10
    16   1    -0.01   0.01   0.02    -0.17  -0.04   0.11    -0.31  -0.04   0.21
    17   1    -0.01   0.03   0.01     0.19  -0.03   0.08     0.31  -0.07   0.12
    18   1     0.05   0.01  -0.04     0.08   0.01  -0.06     0.19   0.03  -0.14
    19   1    -0.10  -0.02  -0.02     0.14   0.01   0.01     0.14  -0.05  -0.00
    20   1     0.04   0.00  -0.01    -0.09  -0.01   0.02    -0.14  -0.01   0.02
    21   1    -0.05  -0.09  -0.01     0.09   0.19   0.02     0.18   0.41   0.05
    22   1     0.00   0.00   0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.07
    23   1     0.00   0.02  -0.00    -0.02  -0.03   0.01    -0.03  -0.07   0.01
    24   1     0.00  -0.02   0.02    -0.01   0.03  -0.02    -0.01   0.06  -0.04
    25   1     0.01   0.01  -0.00    -0.02  -0.02   0.00    -0.03  -0.06   0.00
    26   1     0.00   0.01   0.02    -0.01  -0.01  -0.03    -0.02  -0.02  -0.05
    27   1    -0.02  -0.00   0.01     0.03  -0.00  -0.01     0.05  -0.01  -0.00
    28   1     0.07   0.70   0.33     0.13   0.64   0.27     0.15  -0.24  -0.04
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.44     0.01  -0.08   0.40
    31   1    -0.01  -0.19  -0.13    -0.04   0.00  -0.05    -0.04  -0.09  -0.03
    32   1     0.04  -0.14   0.13     0.05   0.03   0.12    -0.02  -0.07  -0.08
    33   1     0.01   0.07   0.12     0.02   0.03   0.15    -0.05  -0.01  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1369.4754              1372.5348              1376.9173
 Red. masses --      1.6280                 1.4804                 1.2994
 Frc consts  --      1.7989                 1.6432                 1.4514
 IR Inten    --      3.3975                 1.0416                 1.3827
 RamAct Fr= 1--     11.1288                 1.8770                12.6105
  Dep-P Fr= 1--      0.4370                 0.1869                 0.4186
  Dep-U Fr= 1--      0.6082                 0.3150                 0.5901
 Alpha2 Fr= 1--      0.0718                 0.0264                 0.0873
 Beta2  Fr= 1--      1.1281                 0.0985                 1.2403
 AlphaG Fr= 1--      0.0834                 0.0907                 0.1282
 Gamma2 Fr= 1--      1.2850                 0.2213                 2.7550
 Delta2 Fr= 1--     -1.7734                 0.0019                -0.2159
 Raman1 Fr= 1--      44.515                  7.508                 50.442
 ROA1   Fr= 1--      66.611                 21.309                257.572
 CID1   Fr= 1--       1.496                  2.838                  5.106
 Raman2 Fr= 1--      13.537                  1.183                 14.884
 ROA2   Fr= 1--      45.027                  5.297                 67.847
 CID2   Fr= 1--       3.326                  4.479                  4.558
 Raman3 Fr= 1--      27.074                  2.365                 29.768
 ROA3   Fr= 1--      66.611                 21.309                257.572
 CID3   Fr= 1--       2.460                  9.010                  8.653
 RC180  Fr= 1--       0.216                 -0.370                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.03   0.01  -0.01    -0.05   0.01  -0.02
     2   6     0.03  -0.00   0.03    -0.02  -0.01   0.01    -0.01   0.01  -0.04
     3   6     0.05   0.00  -0.03     0.02   0.00  -0.01    -0.00  -0.00   0.01
     4   6     0.02  -0.02   0.06     0.00  -0.01   0.02     0.02  -0.02   0.06
     5   6    -0.06   0.01  -0.00    -0.02   0.00  -0.01     0.01  -0.01   0.01
     6   6     0.08   0.01  -0.05     0.02   0.00  -0.01     0.04   0.01  -0.03
     7   6    -0.08  -0.05   0.01     0.08   0.01   0.02     0.04   0.03  -0.00
     8   6     0.08   0.07   0.00    -0.12   0.11  -0.03    -0.03  -0.08   0.01
     9   6    -0.02  -0.02  -0.01     0.03   0.00  -0.04     0.01   0.01   0.02
    10   6    -0.01  -0.01  -0.01     0.01  -0.03   0.04     0.01   0.02   0.00
    11   6    -0.07  -0.01  -0.01    -0.02  -0.00  -0.00    -0.06  -0.00  -0.01
    12   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.00   0.02  -0.01
    13   8    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.17  -0.03   0.09     0.06  -0.02   0.02     0.29  -0.07   0.12
    16   1    -0.01  -0.00   0.02     0.01  -0.00   0.00     0.22   0.03  -0.14
    17   1    -0.07   0.01  -0.00     0.02  -0.00   0.01    -0.26   0.06  -0.09
    18   1    -0.19  -0.02   0.15    -0.03  -0.02   0.02    -0.28  -0.05   0.18
    19   1     0.31   0.31   0.11    -0.13  -0.08  -0.03    -0.27  -0.24  -0.09
    20   1     0.06   0.04   0.07    -0.37  -0.24  -0.14     0.09   0.04  -0.03
    21   1    -0.35  -0.41  -0.13     0.52  -0.50   0.13     0.17   0.44   0.08
    22   1     0.00   0.06   0.04     0.02  -0.18   0.13    -0.01   0.01  -0.06
    23   1     0.08   0.08   0.02    -0.05  -0.06  -0.06    -0.05  -0.04   0.00
    24   1     0.04  -0.04  -0.03    -0.02  -0.11   0.17    -0.03   0.06  -0.02
    25   1     0.05   0.07   0.01    -0.02   0.09   0.03    -0.04  -0.08  -0.01
    26   1     0.01   0.03   0.05     0.14  -0.02  -0.05    -0.03  -0.02  -0.03
    27   1    -0.04   0.01  -0.02     0.06   0.05  -0.12     0.01  -0.02   0.05
    28   1     0.49  -0.04   0.10     0.13  -0.01   0.02     0.43  -0.02   0.09
    29   6     0.02   0.02  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.02
    30   1     0.00  -0.02   0.10     0.00  -0.00   0.02     0.00  -0.01   0.03
    31   1    -0.07  -0.04  -0.05    -0.02  -0.01  -0.01    -0.04   0.01  -0.02
    32   1     0.02  -0.02   0.02     0.01  -0.00   0.00     0.03   0.00   0.06
    33   1    -0.06  -0.01   0.03    -0.01  -0.00   0.01    -0.03  -0.00   0.07
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.5653              1417.9376              1423.1953
 Red. masses --      1.2572                 1.2303                 1.2351
 Frc consts  --      1.4592                 1.4574                 1.4739
 IR Inten    --      5.4133                 3.6217                 6.4352
 RamAct Fr= 1--      0.0840                 1.2174                 1.7593
  Dep-P Fr= 1--      0.6441                 0.5895                 0.3807
  Dep-U Fr= 1--      0.7835                 0.7417                 0.5515
 Alpha2 Fr= 1--      0.0002                 0.0036                 0.0139
 Beta2  Fr= 1--      0.0110                 0.1505                 0.1617
 AlphaG Fr= 1--      0.0011                -0.0039                 0.0050
 Gamma2 Fr= 1--     -0.0711                -0.0580                -0.0491
 Delta2 Fr= 1--      0.0039                -0.0139                -0.1552
 Raman1 Fr= 1--       0.336                  4.870                  7.037
 ROA1   Fr= 1--      -6.698                 -6.012                 -9.682
 CID1   Fr= 1--     -19.945                 -1.235                 -1.376
 Raman2 Fr= 1--       0.132                  1.806                  1.941
 ROA2   Fr= 1--      -1.737                 -1.280                  0.062
 CID2   Fr= 1--     -13.207                 -0.709                  0.032
 Raman3 Fr= 1--       0.263                  3.612                  3.881
 ROA3   Fr= 1--      -6.698                 -6.012                 -9.682
 CID3   Fr= 1--     -25.457                 -1.664                 -2.495
 RC180  Fr= 1--       0.567                  0.483                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.08  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02  -0.00    -0.00  -0.00   0.00    -0.09   0.00   0.01
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.01   0.03  -0.03     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.05  -0.01   0.02     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.01   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.03   0.02   0.00    -0.07   0.00  -0.02
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.01    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.01  -0.00
    22   1    -0.06  -0.33   0.16     0.00   0.01  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34   0.00    -0.00   0.01   0.00    -0.15   0.40   0.02
    24   1     0.20  -0.23   0.20    -0.00   0.00  -0.01    -0.19   0.26  -0.27
    25   1     0.41  -0.09   0.15     0.00   0.00   0.00     0.36  -0.02   0.14
    26   1     0.39   0.12  -0.10    -0.00  -0.00  -0.00     0.35   0.09  -0.09
    27   1     0.36  -0.21  -0.09     0.00   0.00  -0.00     0.32  -0.15  -0.14
    28   1     0.01   0.00   0.00     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.02   0.08     0.00   0.00  -0.00
    31   1     0.00   0.01   0.00     0.33   0.43   0.18    -0.00  -0.01  -0.00
    32   1     0.00   0.00   0.01     0.06   0.35   0.43    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.01     0.37   0.10   0.43    -0.00  -0.00  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.2610              1485.6214              1490.3292
 Red. masses --      2.4503                 1.0755                 1.0468
 Frc consts  --      3.0785                 1.3985                 1.3698
 IR Inten    --      5.9070                 0.4703                 1.8476
 RamAct Fr= 1--      0.8537                 1.6320                10.5087
  Dep-P Fr= 1--      0.4301                 0.6055                 0.7109
  Dep-U Fr= 1--      0.6015                 0.7543                 0.8310
 Alpha2 Fr= 1--      0.0057                 0.0044                 0.0071
 Beta2  Fr= 1--      0.0856                 0.2052                 1.4554
 AlphaG Fr= 1--      0.0309                 0.0355                -0.0119
 Gamma2 Fr= 1--     -3.7061                 1.0813                 2.1069
 Delta2 Fr= 1--      1.7293                -0.3609                -0.5052
 Raman1 Fr= 1--       3.415                  6.528                 42.035
 ROA1   Fr= 1--    -300.452                 92.258                186.099
 CID1   Fr= 1--     -87.990                 14.133                  4.427
 Raman2 Fr= 1--       1.027                  2.462                 17.465
 ROA2   Fr= 1--    -102.781                 28.839                 54.608
 CID2   Fr= 1--    -100.087                 11.713                  3.127
 Raman3 Fr= 1--       2.054                  4.924                 34.931
 ROA3   Fr= 1--    -300.452                 92.258                186.099
 CID3   Fr= 1--    -146.289                 18.736                  5.328
 RC180  Fr= 1--       0.203                  0.509                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.01   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04    -0.05   0.03   0.02     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00     0.02  -0.01  -0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00     0.03   0.01   0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00    -0.01  -0.03  -0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.28   0.10  -0.22    -0.02   0.00  -0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.30     0.00   0.00  -0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02     0.25  -0.37   0.08    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09     0.20  -0.06  -0.39    -0.09   0.03   0.18
    21   1    -0.01  -0.03  -0.01    -0.03  -0.01  -0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03     0.02   0.13  -0.21    -0.07  -0.26  -0.35
    23   1    -0.02   0.01  -0.00    -0.32  -0.16  -0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.00    -0.11  -0.07   0.24     0.33  -0.11  -0.12
    25   1     0.02   0.04   0.01     0.02   0.40   0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00    -0.10   0.08   0.28     0.12   0.24   0.42
    27   1    -0.01   0.03  -0.05     0.19  -0.04  -0.17     0.16  -0.29   0.25
    28   1     0.39  -0.04   0.03     0.01  -0.00   0.00    -0.01   0.00  -0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    31   1    -0.06  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.04  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7550              1497.7360              1501.8444
 Red. masses --      1.0458                 1.0766                 1.0532
 Frc consts  --      1.3785                 1.4228                 1.3996
 IR Inten    --      5.5473                 3.0687                11.4593
 RamAct Fr= 1--      5.1761                 3.2829                 5.3791
  Dep-P Fr= 1--      0.6482                 0.7035                 0.6332
  Dep-U Fr= 1--      0.7865                 0.8260                 0.7754
 Alpha2 Fr= 1--      0.0095                 0.0027                 0.0114
 Beta2  Fr= 1--      0.6785                 0.4519                 0.6952
 AlphaG Fr= 1--      0.0284                 0.0068                 0.0787
 Gamma2 Fr= 1--      0.1794                 0.0825                 1.5495
 Delta2 Fr= 1--     -0.9122                -0.9704                 1.5330
 Raman1 Fr= 1--      20.704                 13.132                 21.516
 ROA1   Fr= 1--     -11.964                -23.130                197.809
 CID1   Fr= 1--      -0.578                 -1.761                  9.193
 Raman2 Fr= 1--       8.142                  5.423                  8.342
 ROA2   Fr= 1--      11.604                  9.744                 24.924
 CID2   Fr= 1--       1.425                  1.797                  2.988
 Raman3 Fr= 1--      16.284                 10.846                 16.684
 ROA3   Fr= 1--     -11.964                -23.130                197.809
 CID3   Fr= 1--      -0.735                 -2.133                 11.856
 RC180  Fr= 1--       0.573                  0.652                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.04  -0.03  -0.03    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.02   0.02  -0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00  -0.00   0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.02   0.00  -0.01     0.03  -0.00   0.02    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.02   0.00
    17   1    -0.03   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
    18   1    -0.02  -0.00   0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.01   0.01  -0.00    -0.25   0.38  -0.08     0.01  -0.00   0.00
    20   1    -0.00   0.00   0.02    -0.15   0.10   0.43    -0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.00   0.00   0.00
    22   1     0.00   0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.01   0.00
    23   1    -0.01  -0.01  -0.00    -0.31  -0.22  -0.09     0.01   0.01   0.00
    24   1    -0.01  -0.00   0.01    -0.12  -0.09   0.29     0.01   0.00  -0.01
    25   1     0.01   0.01   0.00     0.16   0.24   0.06     0.00   0.01   0.00
    26   1    -0.01  -0.00  -0.00    -0.19  -0.09  -0.02    -0.01  -0.00   0.00
    27   1     0.00   0.01  -0.01     0.04   0.16  -0.30     0.00   0.00  -0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.02
    31   1     0.06  -0.46  -0.13     0.01   0.02   0.01     0.62  -0.21   0.02
    32   1     0.01   0.50   0.06     0.00  -0.02   0.01     0.06  -0.34   0.53
    33   1     0.51   0.13  -0.47    -0.02  -0.01   0.01    -0.25  -0.07  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4219              1511.4163              1551.5079
 Red. masses --      1.0527                 1.0509                 2.4430
 Frc consts  --      1.4038                 1.4144                 3.4648
 IR Inten    --      4.7457                12.3174                27.6026
 RamAct Fr= 1--      7.1072                 0.9024                 0.7556
  Dep-P Fr= 1--      0.7330                 0.5028                 0.7140
  Dep-U Fr= 1--      0.8459                 0.6692                 0.8332
 Alpha2 Fr= 1--      0.0021                 0.0044                 0.0005
 Beta2  Fr= 1--      1.0020                 0.1006                 0.1049
 AlphaG Fr= 1--      0.0115                -0.0038                -0.0003
 Gamma2 Fr= 1--     -0.5973                -1.4001                 0.5809
 Delta2 Fr= 1--      0.1879                -0.2663                 0.6374
 Raman1 Fr= 1--      28.429                  3.610                  3.022
 ROA1   Fr= 1--     -51.323               -142.928                 76.160
 CID1   Fr= 1--      -1.805                -39.597                 25.199
 Raman2 Fr= 1--      12.024                  1.208                  1.259
 ROA2   Fr= 1--     -15.838                -31.471                  8.842
 CID2   Fr= 1--      -1.317                -26.058                  7.023
 Raman3 Fr= 1--      24.049                  2.415                  2.518
 ROA3   Fr= 1--     -51.323               -142.928                 76.160
 CID3   Fr= 1--      -2.134                -59.171                 30.246
 RC180  Fr= 1--       0.692                  0.338                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.01
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.09
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.43  -0.07   0.11
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.23
    17   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.44  -0.08   0.12
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.21
    19   1     0.03   0.05   0.00    -0.06   0.12  -0.02    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.01    -0.07   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.05   0.28  -0.08     0.07   0.22   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.06     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.34    -0.33   0.18   0.00    -0.02   0.01   0.00
    25   1    -0.19  -0.41  -0.07    -0.15   0.29  -0.06    -0.01   0.01  -0.00
    26   1     0.30   0.10  -0.05     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.18   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.02  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.04  -0.01
    32   1     0.00  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.6623              1658.0434              1809.3719
 Red. masses --      5.9639                 5.8250                 9.5562
 Frc consts  --      9.1951                 9.4350                18.4328
 IR Inten    --      0.1271                 1.8041               330.5545
 RamAct Fr= 1--      1.8893               143.6534                19.2998
  Dep-P Fr= 1--      0.6589                 0.4758                 0.1846
  Dep-U Fr= 1--      0.7944                 0.6448                 0.3117
 Alpha2 Fr= 1--      0.0031                 0.7907                 0.2729
 Beta2  Fr= 1--      0.2501                15.4391                 1.0027
 AlphaG Fr= 1--     -0.0581                 0.5091                -0.0594
 Gamma2 Fr= 1--     -0.0386                 7.3579                 1.4093
 Delta2 Fr= 1--      0.0220                -0.0903                -2.7072
 Raman1 Fr= 1--       7.557                574.614                 77.199
 ROA1   Fr= 1--      -3.003                703.464                 48.660
 CID1   Fr= 1--      -0.397                  1.224                  0.630
 Raman2 Fr= 1--       3.002                185.269                 12.033
 ROA2   Fr= 1--      -1.103                177.312                 55.481
 CID2   Fr= 1--      -0.367                  0.957                  4.611
 Raman3 Fr= 1--       6.003                370.538                 24.065
 ROA3   Fr= 1--      -3.003                703.464                 48.660
 CID3   Fr= 1--      -0.500                  1.898                  2.022
 RC180  Fr= 1--       0.589                  0.290                 -0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.07  -0.18     0.30  -0.04   0.04     0.01  -0.00  -0.00
     2   6     0.03  -0.11   0.32    -0.21   0.01   0.02    -0.00   0.00   0.00
     3   6    -0.08  -0.07   0.21    -0.27  -0.01   0.10    -0.01  -0.00   0.01
     4   6    -0.03   0.11  -0.32     0.19  -0.01  -0.02     0.03  -0.00  -0.01
     5   6     0.11  -0.07   0.18    -0.29   0.04  -0.04    -0.01   0.00  -0.00
     6   6     0.08   0.06  -0.20     0.28   0.01  -0.11     0.01  -0.00  -0.00
     7   6    -0.01   0.01  -0.04     0.03  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.02    -0.14   0.41   0.55
    13   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.08  -0.24  -0.37
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.03    -0.31   0.09  -0.20    -0.00   0.00  -0.01
    16   1     0.32  -0.00  -0.05     0.26   0.07  -0.27     0.03   0.00  -0.02
    17   1    -0.29   0.01   0.03     0.29  -0.09   0.19     0.02   0.01   0.01
    18   1    -0.30   0.01   0.04    -0.26  -0.07   0.27    -0.01  -0.00   0.01
    19   1     0.24   0.01   0.03     0.01   0.01  -0.01    -0.00   0.00  -0.00
    20   1    -0.16  -0.04  -0.00     0.03   0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00   0.00   0.00
    22   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
    23   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    25   1    -0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.02   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.00  -0.01   0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.28   0.04  -0.01    -0.01  -0.00   0.00    -0.09   0.22   0.09
    29   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1    -0.00   0.00  -0.01     0.00   0.00  -0.01     0.01  -0.09   0.47
    31   1    -0.03  -0.02  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1     0.00   0.03  -0.01    -0.00   0.02   0.01     0.01   0.02   0.02
    33   1     0.02   0.00  -0.01     0.02   0.01   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8735              3018.5192              3020.4147
 Red. masses --      1.0811                 1.0505                 1.0403
 Frc consts  --      5.7474                 5.6392                 5.5918
 IR Inten    --      3.0921                 8.9936                41.7016
 RamAct Fr= 1--    138.1900                14.6605                28.4160
  Dep-P Fr= 1--      0.1881                 0.6417                 0.2726
  Dep-U Fr= 1--      0.3167                 0.7817                 0.4284
 Alpha2 Fr= 1--      1.9363                 0.0287                 0.3158
 Beta2  Fr= 1--      7.2940                 1.9101                 2.0290
 AlphaG Fr= 1--      1.0719                 0.0736                -0.1864
 Gamma2 Fr= 1--     10.7569                -4.6489                 1.0076
 Delta2 Fr= 1--      6.3026                -2.6302                -3.3828
 Raman1 Fr= 1--     552.760                 58.642                113.664
 ROA1   Fr= 1--    1234.341               -530.458                -11.521
 CID1   Fr= 1--       2.233                 -9.046                 -0.101
 Raman2 Fr= 1--      87.528                 22.921                 24.348
 ROA2   Fr= 1--     207.744                -90.531                 51.245
 CID2   Fr= 1--       2.373                 -3.950                  2.105
 Raman3 Fr= 1--     175.056                 45.841                 48.696
 ROA3   Fr= 1--    1234.341               -530.458                -11.521
 CID3   Fr= 1--       7.051                -11.572                 -0.237
 RC180  Fr= 1--      -0.367                  0.563                 -0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.07     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.06   0.01  -0.24    -0.12  -0.02   0.52     0.06   0.01  -0.26
    20   1     0.00  -0.02   0.01    -0.20   0.48  -0.22     0.09  -0.22   0.10
    21   1    -0.24  -0.02   0.90    -0.03  -0.00   0.10    -0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.03   0.01   0.00     0.28  -0.03  -0.03
    23   1     0.04   0.01  -0.18     0.02   0.00  -0.08    -0.13  -0.02   0.53
    24   1    -0.01  -0.00   0.00     0.01   0.02   0.02    -0.17  -0.26  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.41     0.11   0.01  -0.39
    26   1    -0.01   0.04  -0.01     0.08  -0.28   0.13     0.08  -0.27   0.13
    27   1    -0.02  -0.03  -0.01     0.13   0.21   0.14     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9051              3045.4339              3056.3392
 Red. masses --      1.0439                 1.0362                 1.1034
 Frc consts  --      5.6353                 5.6622                 6.0727
 IR Inten    --     48.7072                27.6740                15.4980
 RamAct Fr= 1--    412.8367               232.5904                29.9681
  Dep-P Fr= 1--      0.0093                 0.0626                 0.7160
  Dep-U Fr= 1--      0.0185                 0.1178                 0.8345
 Alpha2 Fr= 1--      8.9764                 4.4582                 0.0176
 Beta2  Fr= 1--      1.2709                 4.5672                 4.1681
 AlphaG Fr= 1--     -0.9138                -0.7190                -0.1762
 Gamma2 Fr= 1--     -1.6205                 0.0784                -0.9466
 Delta2 Fr= 1--     -0.0362                 2.8359                 1.7369
 Raman1 Fr= 1--    1651.347                930.362                119.872
 ROA1   Fr= 1--    -156.730                 98.276                -35.297
 CID1   Fr= 1--      -0.095                  0.106                 -0.294
 Raman2 Fr= 1--      15.251                 54.806                 50.017
 ROA2   Fr= 1--     -38.604                -20.806                -36.615
 CID2   Fr= 1--      -2.531                 -0.380                 -0.732
 Raman3 Fr= 1--      30.503                109.613                100.034
 ROA3   Fr= 1--    -156.730                 98.276                -35.297
 CID3   Fr= 1--      -5.138                  0.897                 -0.353
 RC180  Fr= 1--      -0.963                 -0.764                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.06  -0.01   0.27    -0.00  -0.00   0.00    -0.16  -0.01   0.67
    20   1    -0.13   0.31  -0.14    -0.00   0.00  -0.00     0.24  -0.58   0.25
    21   1    -0.05  -0.00   0.19    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.29  -0.04  -0.03     0.00  -0.00  -0.00     0.05  -0.00  -0.00
    23   1    -0.12  -0.02   0.49    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.17  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.10  -0.01   0.32    -0.00  -0.00   0.00     0.03  -0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.05
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.00   0.00   0.00     0.68  -0.04  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.00   0.00    -0.18   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3077.9171              3084.2591              3084.3764
 Red. masses --      1.0993                 1.0860                 1.0983
 Frc consts  --      6.1361                 6.0868                 6.1562
 IR Inten    --     11.1039                 0.8001                58.2038
 RamAct Fr= 1--     23.9062                64.6361               105.6531
  Dep-P Fr= 1--      0.7439                 0.4449                 0.3088
  Dep-U Fr= 1--      0.8531                 0.6159                 0.4719
 Alpha2 Fr= 1--      0.0025                 0.4043                 1.0553
 Beta2  Fr= 1--      3.3992                 6.6344                 8.3090
 AlphaG Fr= 1--     -0.0151                 0.4593                -1.6403
 Gamma2 Fr= 1--     -9.9058               -29.5848                33.3887
 Delta2 Fr= 1--      3.5757               -24.1244                 8.7238
 Raman1 Fr= 1--      95.625                258.544                422.612
 ROA1   Fr= 1--    -836.530              -3612.119               3484.476
 CID1   Fr= 1--      -8.748                -13.971                  8.245
 Raman2 Fr= 1--      40.791                 79.613                 99.708
 ROA2   Fr= 1--    -266.344               -517.040                731.538
 CID2   Fr= 1--      -6.530                 -6.494                  7.337
 Raman3 Fr= 1--      81.582                159.226                199.417
 ROA3   Fr= 1--    -836.530              -3612.119               3484.476
 CID3   Fr= 1--     -10.254                -22.686                 17.473
 RC180  Fr= 1--       0.706                  0.232                 -0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.02
     9   6    -0.00   0.03   0.05    -0.00   0.01   0.01     0.00  -0.03  -0.05
    10   6    -0.01   0.01  -0.07     0.00  -0.01   0.01    -0.00   0.03  -0.05
    11   6     0.00   0.00  -0.00     0.02   0.03  -0.07     0.00   0.01  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.01
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    19   1    -0.01  -0.00   0.04     0.01  -0.00  -0.03    -0.02   0.00   0.11
    20   1     0.01  -0.03   0.01    -0.01   0.02  -0.01     0.03  -0.08   0.03
    21   1    -0.01   0.00   0.04     0.01   0.00  -0.05    -0.05  -0.01   0.19
    22   1     0.17  -0.02  -0.00     0.04  -0.00  -0.00    -0.16   0.02   0.00
    23   1     0.09   0.03  -0.36     0.03   0.01  -0.11    -0.10  -0.03   0.42
    24   1    -0.23  -0.36  -0.23    -0.07  -0.10  -0.06     0.25   0.39   0.24
    25   1    -0.17  -0.01   0.53     0.03  -0.00  -0.10    -0.12   0.00   0.39
    26   1     0.10  -0.34   0.14    -0.03   0.10  -0.05     0.13  -0.41   0.18
    27   1     0.17   0.27   0.16    -0.01  -0.02  -0.01     0.03   0.05   0.02
    28   1    -0.00  -0.00   0.00    -0.18  -0.34   0.86    -0.05  -0.09   0.22
    29   6     0.00  -0.00  -0.00    -0.01  -0.01   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.04   0.07  -0.18     0.01   0.02  -0.05
    32   1    -0.00   0.00   0.00     0.07  -0.01  -0.01     0.02  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.01   0.03   0.00    -0.00   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.1181              3104.1100              3106.9954
 Red. masses --      1.1013                 1.1002                 1.1021
 Frc consts  --      6.1961                 6.2461                 6.2684
 IR Inten    --     42.3266                33.0066                25.3044
 RamAct Fr= 1--    121.9212                52.3681               101.6719
  Dep-P Fr= 1--      0.6556                 0.7035                 0.7137
  Dep-U Fr= 1--      0.7920                 0.8259                 0.8329
 Alpha2 Fr= 1--      0.2059                 0.0424                 0.0638
 Beta2  Fr= 1--     16.0937                 7.2089                14.1142
 AlphaG Fr= 1--     -0.2363                -0.1397                 0.1265
 Gamma2 Fr= 1--      3.1545                -9.7289                -2.2873
 Delta2 Fr= 1--      7.9403                -0.4089                -4.2328
 Raman1 Fr= 1--     487.685                209.472                406.687
 ROA1   Fr= 1--     556.917               -947.057               -355.034
 CID1   Fr= 1--       1.142                 -4.521                 -0.873
 Raman2 Fr= 1--     193.124                 86.507                169.371
 ROA2   Fr= 1--      12.185               -230.221                -21.033
 CID2   Fr= 1--       0.063                 -2.661                 -0.124
 Raman3 Fr= 1--     386.249                173.013                338.742
 ROA3   Fr= 1--     556.917               -947.057               -355.034
 CID3   Fr= 1--       1.442                 -5.474                 -1.048
 RC180  Fr= 1--       0.584                  0.652                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00    -0.00  -0.00  -0.00
    10   6    -0.01  -0.09  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00   0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.12  -0.08     0.01  -0.00  -0.00
    23   1    -0.03  -0.01   0.13     0.02   0.00  -0.17     0.00   0.00  -0.00
    24   1     0.07   0.11   0.07     0.19   0.33   0.22     0.00   0.01   0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.16   0.48  -0.24    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    27   1     0.37   0.57   0.38     0.02   0.02   0.02     0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.05  -0.02
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.67   0.02   0.12
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.20   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.0762              3158.5428              3165.3189
 Red. masses --      1.1003                 1.0868                 1.0882
 Frc consts  --      6.3558                 6.3883                 6.4236
 IR Inten    --     15.0210                11.3620                12.9730
 RamAct Fr= 1--     28.1106                55.1391                57.3948
  Dep-P Fr= 1--      0.6328                 0.6568                 0.5003
  Dep-U Fr= 1--      0.7751                 0.7929                 0.6669
 Alpha2 Fr= 1--      0.0598                 0.0919                 0.2831
 Beta2  Fr= 1--      3.6313                 7.2862                 6.3794
 AlphaG Fr= 1--     -0.0221                 0.1322                -0.1919
 Gamma2 Fr= 1--     -0.8135                 0.0235                -1.6025
 Delta2 Fr= 1--      0.8781                 0.1406                 1.2790
 Raman1 Fr= 1--     112.443                220.557                229.579
 ROA1   Fr= 1--     -49.993                  6.760               -112.915
 CID1   Fr= 1--      -0.445                  0.031                 -0.492
 Raman2 Fr= 1--      43.576                 87.435                 76.553
 ROA2   Fr= 1--     -26.548                 -0.560                -48.692
 CID2   Fr= 1--      -0.609                 -0.006                 -0.636
 Raman3 Fr= 1--      87.151                174.870                153.105
 ROA3   Fr= 1--     -49.993                  6.760               -112.915
 CID3   Fr= 1--      -0.574                  0.039                 -0.737
 RC180  Fr= 1--       0.550                  0.586                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.38  -0.25   0.83
    16   1    -0.03   0.01  -0.04     0.01  -0.01   0.02    -0.17   0.10  -0.23
    17   1     0.01   0.01  -0.02     0.22   0.14  -0.48    -0.02  -0.01   0.04
    18   1     0.00  -0.00   0.01     0.47  -0.26   0.63     0.03  -0.02   0.04
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.04  -0.07   0.19     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.29   0.80     0.00   0.00  -0.01     0.00   0.01  -0.02
    32   1    -0.20   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.13  -0.38   0.01    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3176.9931              3193.5886              3727.7420
 Red. masses --      1.0936                 1.0922                 1.0641
 Frc consts  --      6.5033                 6.5629                 8.7118
 IR Inten    --     13.4159                 5.7781                67.2085
 RamAct Fr= 1--    129.1098               111.8952               130.2478
  Dep-P Fr= 1--      0.1555                 0.1403                 0.2394
  Dep-U Fr= 1--      0.2692                 0.2461                 0.3863
 Alpha2 Fr= 1--      1.9681                 1.7726                 1.5900
 Beta2  Fr= 1--      5.7920                 4.5896                 8.3854
 AlphaG Fr= 1--     -0.1943                 0.1656                -0.0590
 Gamma2 Fr= 1--     -0.2035                 1.8398                 3.8886
 Delta2 Fr= 1--     -0.7441                -0.7845                -0.7827
 Raman1 Fr= 1--     516.439                447.581                520.991
 ROA1   Fr= 1--     -43.348                151.516                348.260
 CID1   Fr= 1--      -0.084                  0.339                  0.668
 Raman2 Fr= 1--      69.504                 55.075                100.625
 ROA2   Fr= 1--       1.068                 50.431                 99.588
 CID2   Fr= 1--       0.015                  0.916                  0.990
 Raman3 Fr= 1--     139.008                110.150                201.249
 ROA3   Fr= 1--     -43.348                151.516                348.260
 CID3   Fr= 1--      -0.312                  1.376                  1.730
 RC180  Fr= 1--      -0.462                 -0.508                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.03   0.01  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06  -0.01
    15   1     0.02   0.01  -0.05    -0.13  -0.08   0.26    -0.00  -0.00   0.00
    16   1     0.04  -0.02   0.05     0.54  -0.30   0.72     0.00  -0.00  -0.00
    17   1    -0.34  -0.22   0.73     0.01   0.01  -0.03     0.00  -0.00  -0.00
    18   1     0.31  -0.17   0.41    -0.02   0.01  -0.03    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.27   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1345.734926925.358827223.32019
           X            0.99983   0.01747   0.00518
           Y           -0.01717   0.99844  -0.05315
           Z           -0.00610   0.05305   0.99857
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06436     0.01251     0.01199
 Rotational constants (GHZ):           1.34108     0.26060     0.24985
 Zero-point vibrational energy     746220.3 (Joules/Mol)
                                  178.35094 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.85    53.18    64.43    79.12    97.43
          (Kelvin)            160.08   239.92   284.71   327.17   335.90
                              359.77   366.04   427.69   458.38   497.95
                              557.48   586.06   603.26   615.26   652.98
                              795.25   835.87   871.49   914.20   953.69
                             1045.88  1083.48  1154.99  1184.48  1200.64
                             1224.94  1233.33  1255.81  1290.67  1347.41
                             1374.97  1382.58  1398.36  1401.82  1441.47
                             1503.23  1524.98  1567.38  1599.83  1638.71
                             1658.44  1707.60  1717.70  1745.41  1757.11
                             1779.83  1797.02  1867.06  1897.57  1929.41
                             1936.71  1946.22  1970.37  1974.77  1981.08
                             2019.42  2040.10  2047.66  2100.99  2137.48
                             2144.25  2152.06  2154.91  2160.82  2164.53
                             2174.59  2232.27  2327.46  2385.55  2603.28
                             4321.90  4342.98  4345.70  4355.04  4381.70
                             4397.39  4428.44  4437.56  4437.73  4445.99
                             4466.12  4470.27  4504.92  4544.44  4554.19
                             4570.98  4594.86  5363.39
 
 Zero-point correction=                           0.284220 (Hartree/Particle)
 Thermal correction to Energy=                    0.299899
 Thermal correction to Enthalpy=                  0.300843
 Thermal correction to Gibbs Free Energy=         0.239452
 Sum of electronic and zero-point Energies=           -656.738499
 Sum of electronic and thermal Energies=              -656.722821
 Sum of electronic and thermal Enthalpies=            -656.721877
 Sum of electronic and thermal Free Energies=         -656.783268
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.189             58.758            129.209
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.576
 Vibrational            186.412             52.797             54.758
 Vibration     1          0.593              1.985              6.433
 Vibration     2          0.594              1.982              5.416
 Vibration     3          0.595              1.979              5.036
 Vibration     4          0.596              1.976              4.629
 Vibration     5          0.598              1.970              4.219
 Vibration     6          0.607              1.940              3.247
 Vibration     7          0.624              1.883              2.472
 Vibration     8          0.637              1.843              2.153
 Vibration     9          0.651              1.799              1.899
 Vibration    10          0.654              1.790              1.852
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.665              1.755              1.700
 Vibration    13          0.691              1.679              1.432
 Vibration    14          0.705              1.638              1.317
 Vibration    15          0.724              1.583              1.184
 Vibration    16          0.756              1.497              1.010
 Vibration    17          0.772              1.454              0.936
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.789              1.410              0.866
 Vibration    20          0.812              1.352              0.784
 Vibration    21          0.908              1.134              0.539
 Vibration    22          0.938              1.072              0.484
 Vibration    23          0.964              1.020              0.440
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.724289-110       -110.140088       -253.606926
 Total V=0       0.390901D+21         20.592067         47.414986
 Vib (Bot)       0.211997-124       -124.673671       -287.071737
 Vib (Bot)    1  0.935804D+01          0.971185          2.236236
 Vib (Bot)    2  0.559922D+01          0.748127          1.722627
 Vib (Bot)    3  0.461871D+01          0.664520          1.530114
 Vib (Bot)    4  0.375706D+01          0.574848          1.323636
 Vib (Bot)    5  0.304671D+01          0.483831          1.114062
 Vib (Bot)    6  0.184032D+01          0.264894          0.609942
 Vib (Bot)    7  0.120981D+01          0.082718          0.190465
 Vib (Bot)    8  0.100846D+01          0.003657          0.008420
 Vib (Bot)    9  0.867141D+00         -0.061910         -0.142554
 Vib (Bot)   10  0.842360D+00         -0.074502         -0.171548
 Vib (Bot)   11  0.780497D+00         -0.107629         -0.247824
 Vib (Bot)   12  0.765533D+00         -0.116036         -0.267183
 Vib (Bot)   13  0.640757D+00         -0.193307         -0.445105
 Vib (Bot)   14  0.590544D+00         -0.228748         -0.526711
 Vib (Bot)   15  0.534438D+00         -0.272103         -0.626540
 Vib (Bot)   16  0.464178D+00         -0.333316         -0.767488
 Vib (Bot)   17  0.435213D+00         -0.361298         -0.831919
 Vib (Bot)   18  0.419010D+00         -0.377775         -0.869860
 Vib (Bot)   19  0.408205D+00         -0.389122         -0.895986
 Vib (Bot)   20  0.376671D+00         -0.424038         -0.976384
 Vib (Bot)   21  0.283181D+00         -0.547936         -1.261669
 Vib (Bot)   22  0.262043D+00         -0.581627         -1.339246
 Vib (Bot)   23  0.245067D+00         -0.610716         -1.406225
 Vib (V=0)       0.114415D+07          6.058484         13.950175
 Vib (V=0)    1  0.987139D+01          0.994378          2.289641
 Vib (V=0)    2  0.612150D+01          0.786858          1.811807
 Vib (V=0)    3  0.514569D+01          0.711444          1.638160
 Vib (V=0)    4  0.429018D+01          0.632476          1.456329
 Vib (V=0)    5  0.358746D+01          0.554787          1.277445
 Vib (V=0)    6  0.240704D+01          0.381483          0.878397
 Vib (V=0)    7  0.180906D+01          0.257454          0.592809
 Vib (V=0)    8  0.162560D+01          0.211015          0.485879
 Vib (V=0)    9  0.150097D+01          0.176371          0.406109
 Vib (V=0)   10  0.147958D+01          0.170137          0.391756
 Vib (V=0)   11  0.142692D+01          0.154399          0.355516
 Vib (V=0)   12  0.141435D+01          0.150558          0.346672
 Vib (V=0)   13  0.131275D+01          0.118183          0.272127
 Vib (V=0)   14  0.127378D+01          0.105096          0.241992
 Vib (V=0)   15  0.123186D+01          0.090563          0.208528
 Vib (V=0)   16  0.118225D+01          0.072708          0.167417
 Vib (V=0)   17  0.116288D+01          0.065535          0.150900
 Vib (V=0)   18  0.115236D+01          0.061587          0.141809
 Vib (V=0)   19  0.114547D+01          0.058984          0.135815
 Vib (V=0)   20  0.112600D+01          0.051540          0.118675
 Vib (V=0)   21  0.107462D+01          0.031256          0.071970
 Vib (V=0)   22  0.106451D+01          0.027148          0.062511
 Vib (V=0)   23  0.105683D+01          0.024004          0.055272
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.293707D+07          6.467915         14.892925
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665555444444443333333222221111100009999988888887766655444433322222111     
     2        97653009887542210                           051510099986210776544194321985318640776539755320526308552108419553296165432
     8        47591740448657094                           988214286060384739361989713473929052421667371433373561348977697403787185572
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   XXXXXXXXXXXXXXXXXX XXXXXXX   X  XXXX
     X             XXXX   XXX                             X  X                        X    X X               XXX                     
     X               XX    XX                             X                           X    X                 XX                      
     X                X                                   X                           X    X                  X                      
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                                                          X                                                                          
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                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008985    0.000000860    0.000001620
      2        6           0.000002389    0.000002016   -0.000012107
      3        6          -0.000006555   -0.000000633   -0.000000340
      4        6          -0.000003379    0.000000261    0.000004122
      5        6           0.000009691   -0.000003031    0.000000202
      6        6          -0.000008623   -0.000000901    0.000006230
      7        6          -0.000004068    0.000005765    0.000008112
      8        6           0.000004158    0.000002418   -0.000004277
      9        6          -0.000001036   -0.000007279    0.000004827
     10        6          -0.000005906   -0.000001000    0.000002659
     11        6           0.000003723    0.000002762    0.000004472
     12        6          -0.000001191    0.000008856   -0.000067306
     13        8          -0.000003477    0.000009918    0.000032308
     14        8           0.000002671   -0.000016196    0.000032381
     15        1          -0.000000145    0.000000288   -0.000000963
     16        1           0.000001719    0.000000247   -0.000000321
     17        1          -0.000002538    0.000000891    0.000000142
     18        1           0.000002154   -0.000000813   -0.000000830
     19        1           0.000001636   -0.000003298   -0.000002055
     20        1           0.000002468   -0.000001267   -0.000000118
     21        1          -0.000001488   -0.000001662    0.000001101
     22        1          -0.000000340    0.000001084   -0.000000992
     23        1           0.000000132    0.000001794   -0.000003077
     24        1           0.000001158    0.000001413    0.000000179
     25        1           0.000003162   -0.000000508   -0.000002702
     26        1           0.000000688   -0.000000749   -0.000000456
     27        1           0.000001587    0.000001090   -0.000000602
     28        1          -0.000002291    0.000000880   -0.000001536
     29        6          -0.000003898   -0.000001520    0.000002719
     30        1           0.000000031    0.000000139    0.000000675
     31        1          -0.000001302   -0.000001673   -0.000001083
     32        1          -0.000000453    0.000000258   -0.000002496
     33        1           0.000000338   -0.000000410   -0.000000488
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000067306 RMS     0.000009027
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220454D+03 -0.203962D+01 -0.445855D+00
      2  -0.203962D+01  0.138323D+03 -0.683302D+01
      3  -0.445855D+00 -0.683302D+01  0.151998D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.171473D+01 -0.714299D+01  0.227646D+02
      2   0.105998D+02 -0.793457D+01  0.320918D+02
      3  -0.107099D+03 -0.450655D+02  0.105107D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.259266D+03  0.448242D+02  0.352359D+01
      2  -0.135268D+03 -0.267250D+02  0.206014D+02
      3  -0.123998D+03 -0.180993D+02 -0.241250D+02
      4  -0.340626D+02  0.789065D+02 -0.246801D+02
      5  -0.143695D+01 -0.265297D+02  0.633324D+02
      6  -0.126017D+02  0.136061D+02 -0.339323D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.126627D+02  0.252351D+00  0.947805D+00  0.573942D+01  0.205698D+01
      2   0.252351D+00  0.113497D+01  0.137761D+00  0.205698D+01  0.198573D+01
      3   0.947805D+00  0.137761D+00  0.183948D+01 -0.145583D+00 -0.288254D+01
                 6             7             8             9            10 
      1  -0.145583D+00 -0.107629D+02  0.316514D+00 -0.322786D+00  0.305355D+02
      2  -0.288254D+01  0.316514D+00 -0.142735D+01 -0.109439D+01  0.149931D+01
      3  -0.214740D+01 -0.322786D+00 -0.109439D+01 -0.193709D+01 -0.102315D+01
                11            12            13            14            15 
      1   0.149931D+01 -0.102315D+01 -0.610643D+00  0.475769D+01  0.125396D+01
      2   0.203956D+01 -0.660189D+00  0.475769D+01 -0.801605D+00 -0.141694D+00
      3  -0.660189D+00  0.295785D+01  0.125396D+01 -0.141694D+00 -0.690179D+00
                16            17            18            19            20 
      1  -0.271421D+01  0.115822D+01  0.112773D+01  0.100912D+02 -0.651210D+00
      2   0.115822D+01  0.438864D+00 -0.813377D+00 -0.651210D+00 -0.963506D+00
      3   0.112773D+01 -0.813377D+00 -0.643265D+00 -0.900990D+00 -0.375315D+00
                21            22            23            24            25 
      1  -0.900990D+00  0.402139D+01 -0.127246D+01 -0.102209D+01 -0.133774D+02
      2  -0.375315D+00 -0.127246D+01  0.220965D+01 -0.234849D+01  0.158518D+00
      3  -0.334454D+01 -0.102209D+01 -0.234849D+01 -0.142426D+01  0.674526D+00
                26            27            28            29            30 
      1   0.158518D+00  0.674526D+00 -0.283877D+02  0.101230D+00  0.823136D+00
      2  -0.107400D+01 -0.818220D+00  0.101230D+00 -0.173701D+01  0.276708D+00
      3  -0.818220D+00 -0.162391D+01  0.823136D+00  0.276708D+00 -0.284438D+01
                31            32            33            34            35 
      1   0.207858D+01 -0.486629D+01 -0.157410D+01  0.269793D+01 -0.138256D+01
      2  -0.486629D+01  0.409636D+00  0.431818D+00 -0.138256D+01 -0.585542D-01
      3  -0.157410D+01  0.431818D+00 -0.223844D-01 -0.688746D+00 -0.960690D+00
                36            37            38            39            40 
      1  -0.688746D+00  0.131711D+02 -0.321921D+00 -0.104004D+01 -0.373181D+01
      2  -0.960690D+00 -0.321921D+00 -0.255754D+01  0.144890D+01 -0.158000D+01
      3   0.419360D+00 -0.104004D+01  0.144890D+01 -0.217133D+01 -0.322623D+00
                41            42            43            44            45 
      1  -0.158000D+01 -0.322623D+00  0.114426D+02 -0.161200D+01  0.168102D+00
      2  -0.282818D+01  0.257693D+01 -0.161200D+01  0.127393D+01  0.132440D+01
      3   0.257693D+01  0.181316D+01  0.168102D+00  0.132440D+01  0.187836D+01
                46            47            48            49            50 
      1  -0.961319D+01  0.254641D+00  0.711634D+00 -0.297401D+01  0.109588D+01
      2   0.254641D+00  0.223166D+01 -0.941134D+00  0.109588D+01 -0.339091D+01
      3   0.711634D+00 -0.941134D+00  0.326524D+01  0.137921D+01  0.223874D+01
                51            52            53            54            55 
      1   0.137921D+01  0.128357D+02  0.139857D+01 -0.100388D+01 -0.147249D+02
      2   0.223874D+01  0.139857D+01  0.204871D-01  0.146326D+01 -0.210589D+01
      3   0.120233D+01 -0.100388D+01  0.146326D+01  0.101403D+01 -0.445794D+00
                56            57            58            59            60 
      1  -0.210589D+01 -0.445794D+00 -0.573730D+01 -0.718826D+01 -0.515131D+00
      2  -0.348002D+01 -0.131525D+00 -0.718826D+01  0.225235D+01 -0.178770D+01
      3  -0.131525D+00 -0.145443D+01 -0.515131D+00 -0.178770D+01  0.202199D-01
                61            62            63            64            65 
      1  -0.574868D+01 -0.130123D+01 -0.311363D+01 -0.144420D+01  0.292418D+01
      2  -0.130123D+01 -0.314850D+01  0.643115D+00  0.292418D+01  0.388812D+01
      3  -0.311363D+01  0.643115D+00  0.519327D+01 -0.106211D+00  0.380250D+00
                66            67            68            69            70 
      1  -0.106211D+00  0.108327D+02  0.650606D+01  0.789122D+00  0.549914D+01
      2   0.380250D+00  0.650606D+01 -0.169106D+01  0.229463D+01  0.133129D+01
      3   0.250530D+01  0.789122D+00  0.229463D+01  0.451415D+00  0.378511D+01
                71            72            73            74            75 
      1   0.133129D+01  0.378511D+01  0.610388D+01 -0.235326D+01 -0.102723D+01
      2   0.328748D+01  0.505956D+00 -0.235326D+01 -0.350458D+01 -0.659310D+00
      3   0.505956D+00 -0.701368D+01 -0.102723D+01 -0.659310D+00 -0.194466D+01
                76            77            78            79            80 
      1  -0.350813D+01 -0.391071D+01 -0.884347D+00 -0.205005D+01 -0.887460D+00
      2  -0.391071D+01 -0.908266D-01 -0.297673D+01 -0.887460D+00 -0.409600D+01
      3  -0.884347D+00 -0.297673D+01 -0.972131D+00 -0.270263D+01 -0.181888D+01
                81            82            83            84            85 
      1  -0.270263D+01  0.602476D+01 -0.171338D+01 -0.360150D+00 -0.365085D+01
      2  -0.181888D+01 -0.171338D+01 -0.342726D+01 -0.548351D+00 -0.548152D+01
      3   0.531391D+01 -0.360150D+00 -0.548351D+00 -0.286487D+01 -0.839691D+00
                86            87            88            89            90 
      1  -0.548152D+01 -0.839691D+00 -0.171591D+01 -0.893932D+00 -0.453874D+01
      2   0.198364D+01 -0.384301D+01 -0.893932D+00 -0.393636D+01 -0.240176D+00
      3  -0.384301D+01 -0.375502D+00 -0.453874D+01 -0.240176D+00  0.445130D+01
                91            92            93            94            95 
      1   0.513415D+01  0.176811D+01  0.187670D+01 -0.280210D+01  0.563528D+01
      2   0.176811D+01  0.192071D+01  0.427438D+00  0.563528D+01 -0.339380D+01
      3   0.187670D+01  0.427438D+00  0.156352D+01  0.149769D+01  0.610710D+00
                96            97            98            99           100 
      1   0.149769D+01  0.305241D+01  0.212311D+01  0.244686D+01  0.664617D+00
      2   0.610710D+00  0.212311D+01  0.640307D+00  0.273212D+01 -0.112912D+01
      3   0.232776D+01  0.244686D+01  0.273212D+01 -0.298087D+01 -0.159624D+01
               101           102           103           104           105 
      1  -0.112912D+01 -0.159624D+01 -0.231537D+00 -0.758616D+00  0.126359D+01
      2  -0.126360D+00  0.796414D+00 -0.758616D+00  0.281906D+01 -0.165185D+01
      3   0.796414D+00  0.596510D+00  0.126359D+01 -0.165185D+01 -0.289760D+01
               106           107           108           109           110 
      1  -0.386496D+01  0.169123D+01  0.141421D+01 -0.267981D+01  0.187858D+01
      2   0.169123D+01 -0.351798D+01 -0.344112D+01  0.187858D+01 -0.905619D+00
      3   0.141421D+01 -0.344112D+01 -0.218727D+01  0.332041D+01 -0.810139D+00
               111           112           113           114           115 
      1   0.332041D+01  0.307622D+01 -0.280486D+01 -0.174368D+01  0.636284D+01
      2  -0.810139D+00 -0.280486D+01  0.457645D+01  0.380512D+01 -0.288666D+01
      3  -0.147942D+01 -0.174368D+01  0.380512D+01  0.336328D+01 -0.335886D+01
               116           117           118           119           120 
      1  -0.288666D+01 -0.335886D+01  0.587615D+00 -0.706472D+00 -0.140362D+01
      2   0.475427D+01  0.407410D+01 -0.706472D+00  0.211838D+01 -0.163189D+00
      3   0.407410D+01  0.887012D+01 -0.140362D+01 -0.163189D+00 -0.121985D+00
               121           122           123           124           125 
      1  -0.177219D+01  0.334084D+01 -0.397039D+00 -0.381320D+01  0.971519D+00
      2   0.334084D+01 -0.675822D+01 -0.225008D+00  0.971519D+00 -0.156650D+01
      3  -0.397039D+00 -0.225008D+00 -0.144932D+00 -0.105887D+01  0.144146D+01
               126           127           128           129           130 
      1  -0.105887D+01  0.203387D+01  0.625663D+00 -0.202759D+01  0.228483D+00
      2   0.144146D+01  0.625663D+00  0.293894D+00 -0.426051D+00  0.144764D+00
      3  -0.405356D+01 -0.202759D+01 -0.426051D+00  0.218199D+01 -0.663599D+00
               131           132           133           134           135 
      1   0.144764D+00 -0.663599D+00 -0.233136D+01 -0.853545D+00  0.268208D+01
      2   0.334014D+00 -0.538651D+00 -0.853545D+00 -0.116324D+01  0.162997D+01
      3  -0.538651D+00  0.212768D+01  0.268208D+01  0.162997D+01 -0.704284D+01
               136           137           138           139           140 
      1  -0.465996D+01  0.170119D+01 -0.203780D+01  0.259222D+01 -0.132875D+01
      2   0.170119D+01 -0.123031D+01  0.524286D+00 -0.132875D+01  0.112308D+01
      3  -0.203780D+01  0.524286D+00 -0.183027D+01  0.106757D+01 -0.517990D+00
               141           142           143           144           145 
      1   0.106757D+01 -0.217839D+01  0.538501D+00 -0.267664D+01 -0.208162D+01
      2  -0.517990D+00  0.538501D+00 -0.878556D+00  0.142011D+01 -0.680782D+00
      3   0.185774D+01 -0.267664D+01  0.142011D+01 -0.469685D+01  0.203666D+01
               146           147           148           149           150 
      1  -0.680782D+00  0.203666D+01 -0.491621D+00 -0.174444D+00  0.729845D+00
      2  -0.382716D+00  0.684193D+00 -0.174444D+00 -0.519337D+00  0.751856D+00
      3   0.684193D+00 -0.218143D+01  0.729845D+00  0.751856D+00 -0.221432D+01
               151           152           153           154           155 
      1   0.207514D+01  0.100089D+01 -0.263632D+01  0.355594D+01 -0.106664D+01
      2   0.100089D+01  0.158996D+01 -0.233317D+01 -0.106664D+01  0.860157D+00
      3  -0.263632D+01 -0.233317D+01  0.706809D+01  0.251424D+01 -0.107410D+01
               156           157           158           159           160 
      1   0.251424D+01 -0.170451D+01  0.621480D+00 -0.128548D+01  0.267240D+01
      2  -0.107410D+01  0.621480D+00 -0.753978D+00  0.836624D+00 -0.122150D+01
      3   0.231725D+01 -0.128548D+01  0.836624D+00 -0.205655D+01  0.292451D+01
               161           162           163           164           165 
      1  -0.122150D+01  0.292451D+01  0.120113D+01 -0.614187D-01 -0.148455D+01
      2   0.158781D+01 -0.208373D+01 -0.614187D-01  0.745915D+00  0.303831D+00
      3  -0.208373D+01  0.511674D+01 -0.148455D+01  0.303831D+00  0.139541D+01
               166           167           168           169           170 
      1   0.161923D+01  0.116740D+01 -0.719703D-01 -0.374940D+01  0.144166D+00
      2   0.116740D+01 -0.356288D+00 -0.634010D+00  0.144166D+00 -0.116659D+01
      3  -0.719703D-01 -0.634010D+00  0.125790D+00  0.242135D+01 -0.119652D+01
               171           172           173           174           175 
      1   0.242135D+01  0.404755D+01 -0.183984D+01  0.670390D+00 -0.412910D+01
      2  -0.119652D+01 -0.183984D+01  0.230053D+01 -0.864485D-01  0.338465D+01
      3  -0.608483D+01  0.670390D+00 -0.864485D-01  0.386797D+00 -0.254749D+00
               176           177           178           179           180 
      1   0.338465D+01 -0.254749D+00  0.486210D+01 -0.454990D+00  0.108447D+01
      2  -0.638719D+01  0.902318D+00 -0.454990D+00  0.213616D+01 -0.105654D+01
      3   0.902318D+00 -0.782055D+00  0.108447D+01 -0.105654D+01  0.338853D+00
               181           182           183           184           185 
      1  -0.627209D+00 -0.710246D+00  0.122453D+01 -0.150996D+01 -0.838570D+00
      2  -0.710246D+00 -0.833391D+00 -0.546490D-01 -0.838570D+00  0.187228D+00
      3   0.122453D+01 -0.546490D-01 -0.102892D+01  0.862154D-01  0.625164D+00
               186           187           188           189           190 
      1   0.862154D-01  0.222195D+01  0.145645D+00 -0.650958D+00 -0.867492D+01
      2   0.625164D+00  0.145645D+00  0.103162D+01  0.715213D-02  0.563060D+00
      3  -0.141961D-01 -0.650958D+00  0.715213D-02  0.704108D+01  0.376936D+00
               191           192           193           194           195 
      1   0.563060D+00  0.376936D+00  0.139368D+00 -0.141245D+01  0.677957D-01
      2  -0.233020D+01  0.101110D+00 -0.141245D+01  0.604794D+00  0.308209D+00
      3   0.101110D+00 -0.661550D+00  0.677957D-01  0.308209D+00  0.385127D+00
               196           197           198           199           200 
      1   0.433463D+00 -0.119561D+00 -0.294441D+00  0.426941D+00  0.605860D+00
      2  -0.119561D+00  0.576588D+00  0.541122D+00  0.605860D+00  0.929595D+00
      3  -0.294441D+00  0.541122D+00 -0.311736D+00 -0.101534D+01 -0.313326D+00
               201           202           203           204           205 
      1  -0.101534D+01  0.268424D+00  0.558657D+00 -0.633624D-01 -0.183057D+01
      2  -0.313326D+00  0.558657D+00  0.740747D+00 -0.632120D+00 -0.551258D+00
      3   0.141361D+01 -0.633624D-01 -0.632120D+00  0.487671D+00  0.151004D+01
               206           207           208           209           210 
      1  -0.551258D+00  0.151004D+01  0.225185D+01  0.256168D+01  0.878972D+00
      2  -0.195712D+01  0.186507D+01  0.256168D+01  0.335664D+01  0.719339D+00
      3   0.186507D+01 -0.664588D+01  0.878972D+00  0.719339D+00  0.963508D+00
               211           212           213           214           215 
      1   0.232697D+01  0.324524D+01  0.836433D+00  0.183690D+01  0.150439D+01
      2   0.324524D+01  0.685130D+01  0.190674D+01  0.150439D+01  0.347464D+01
      3   0.836433D+00  0.190674D+01  0.135431D+01  0.122329D+01  0.181834D+01
               216           217           218           219           220 
      1   0.122329D+01  0.193303D+01  0.113663D+00 -0.151075D+01  0.364780D+00
      2   0.181834D+01  0.113663D+00  0.632199D+00  0.662022D-01  0.112630D+01
      3   0.107722D+01 -0.151075D+01  0.662022D-01  0.167111D+01  0.278938D-02
               221           222           223           224           225 
      1   0.112630D+01  0.278938D-02 -0.454094D+01  0.106127D+00  0.335656D+01
      2  -0.153064D+00 -0.393091D+00  0.106127D+00 -0.969236D+00 -0.506245D-01
      3  -0.393091D+00  0.984965D-01  0.335656D+01 -0.506245D-01 -0.597576D+01
               226           227           228           229           230 
      1   0.183417D+01 -0.163018D+01  0.843803D+00 -0.395335D+01  0.329999D+01
      2  -0.163018D+01  0.172338D+01 -0.528944D+00  0.329999D+01 -0.564299D+01
      3   0.843803D+00 -0.528944D+00  0.865107D+00 -0.109383D+01  0.200670D+01
               231           232           233           234           235 
      1  -0.109383D+01  0.200411D+01 -0.972281D+00  0.164492D+01  0.457473D+01
      2   0.200670D+01 -0.972281D+00  0.223924D+01 -0.131371D+01  0.239371D+01
      3  -0.161605D+01  0.164492D+01 -0.131371D+01  0.116354D+01  0.167741D+01
               236           237           238           239           240 
      1   0.239371D+01  0.167741D+01  0.561953D+01  0.355901D+01  0.164794D+01
      2   0.197533D+01  0.922967D+00  0.355901D+01  0.354498D+01  0.183755D+01
      3   0.922967D+00  0.137098D+01  0.164794D+01  0.183755D+01  0.166137D+01
               241           242           243           244           245 
      1   0.362326D+01  0.151113D+01  0.244065D+01  0.735219D-01 -0.816960D+00
      2   0.151113D+01  0.204018D+01  0.134591D+01 -0.816960D+00 -0.665952D+00
      3   0.244065D+01  0.134591D+01  0.161385D+01  0.117581D+01  0.217427D+00
               246           247           248           249           250 
      1   0.117581D+01 -0.122443D+01 -0.116570D+01  0.370220D+00  0.265543D+01
      2   0.217427D+00 -0.116570D+01 -0.968765D+00  0.114613D+01  0.408716D+00
      3  -0.108087D+01  0.370220D+00  0.114613D+01 -0.155573D+01 -0.179726D+01
               251           252           253           254           255 
      1   0.408716D+00 -0.179726D+01  0.778708D+01 -0.829070D+00 -0.201536D+01
      2   0.153298D+01 -0.138977D+01 -0.829070D+00 -0.330262D+01 -0.110886D+01
      3  -0.138977D+01  0.508181D+01 -0.201536D+01 -0.110886D+01 -0.162612D+01
               256           257           258           259           260 
      1  -0.374806D+01 -0.299074D+01 -0.140362D+01 -0.646777D+01 -0.161897D+01
      2  -0.299074D+01  0.486075D+01 -0.447049D+00 -0.161897D+01 -0.187042D+01
      3  -0.140362D+01 -0.447049D+00 -0.252268D+01 -0.213064D+01 -0.256764D+01
               261           262           263           264           265 
      1  -0.213064D+01 -0.129711D+01  0.157065D+01 -0.628694D+00  0.261854D+01
      2  -0.256764D+01  0.157065D+01 -0.181182D+01  0.462819D+00 -0.360691D+01
      3   0.256615D+01 -0.628694D+00  0.462819D+00 -0.485214D+00  0.876686D+00
               266           267           268           269           270 
      1  -0.360691D+01  0.876686D+00 -0.674764D-01 -0.245018D+00 -0.341470D+00
      2   0.880062D+01 -0.179403D+01 -0.245018D+00  0.440067D+00  0.621508D+00
      3  -0.179403D+01  0.159726D+01 -0.341470D+00  0.621508D+00 -0.677657D+00
               271           272           273           274           275 
      1  -0.335533D+00  0.373413D+00 -0.375987D+00  0.136543D+01  0.324055D+00
      2   0.373413D+00  0.499844D+00  0.221588D+00  0.324055D+00  0.155529D+00
      3  -0.375987D+00  0.221588D+00  0.429326D+00  0.400464D+00 -0.581501D+00
               276           277           278           279           280 
      1   0.400464D+00 -0.190532D+01 -0.212142D+00 -0.706612D+00 -0.148436D+02
      2  -0.581501D+00 -0.212142D+00 -0.125987D+01  0.357227D+00 -0.180672D+01
      3   0.131972D+01 -0.706612D+00  0.357227D+00 -0.601470D+01 -0.297535D+00
               281           282           283           284           285 
      1  -0.180672D+01 -0.297535D+00  0.575421D+00 -0.107052D+01  0.133951D+00
      2  -0.136849D+01 -0.181501D+00 -0.107052D+01 -0.608134D+00  0.806652D-01
      3  -0.181501D+00 -0.106806D+01  0.133951D+00  0.806652D-01  0.322774D+00
               286           287           288           289           290 
      1   0.197633D+01  0.425713D+00 -0.100599D+01 -0.267367D-03 -0.764184D+00
      2   0.425713D+00  0.518787D+00  0.875549D-01 -0.764184D+00  0.197650D+01
      3  -0.100599D+01  0.875549D-01  0.634273D-01  0.218586D+00  0.371799D+00
               291           292           293           294           295 
      1   0.218586D+00 -0.168712D+01 -0.373474D+00 -0.122578D+00  0.866878D+00
      2   0.371799D+00 -0.373474D+00 -0.909520D+01 -0.964437D+00  0.278843D+00
      3   0.465063D+00 -0.122578D+00 -0.964437D+00 -0.108014D+01  0.124063D+00
               296           297 
      1   0.278843D+00  0.124063D+00
      2   0.506867D+00 -0.699794D+00
      3  -0.699794D+00 -0.381197D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.410697D+00 -0.210625D+01  0.963951D+00 -0.692549D+01 -0.254958D+01
      2   0.350511D+01 -0.246475D+01  0.949361D+01 -0.252741D+01  0.174471D+01
      3   0.183313D+02 -0.237678D+01  0.297297D+01  0.773452D+01 -0.149330D+01
                 6             7             8             9            10 
      1  -0.206127D+01 -0.205635D+01  0.224946D+01 -0.402153D+00 -0.146630D+00
      2  -0.334400D+01 -0.452363D+01 -0.135260D+01  0.284414D+01  0.109232D+01
      3   0.228131D+01  0.148034D+02  0.470387D+00  0.309004D+01 -0.314055D+02
                11            12            13            14            15 
      1  -0.211445D-01  0.207516D+01  0.176543D+01  0.442119D+01 -0.879628D+01
      2   0.743659D+00 -0.396018D+01  0.502951D+01  0.361825D+00  0.560473D+00
      3  -0.918094D+00  0.670428D+00  0.109576D+02 -0.189077D+01 -0.346155D+00
                16            17            18            19            20 
      1  -0.264171D+01 -0.234809D+01 -0.433672D+01  0.123410D+01  0.108089D+01
      2  -0.253470D+02 -0.168109D+01 -0.311017D+01 -0.413020D+01 -0.196881D+01
      3  -0.226715D+01 -0.818159D+00 -0.220747D+01 -0.128042D+02 -0.424438D+00
                21            22            23            24            25 
      1  -0.167187D+01  0.493319D+01 -0.138189D+01 -0.333163D+01  0.332430D+01
      2   0.309826D+01 -0.521320D+01 -0.134311D+01  0.121381D+01 -0.127458D+01
      3   0.266186D+01  0.708453D+01  0.139167D+01 -0.290111D+01  0.184307D+02
                26            27            28            29            30 
      1   0.235346D+01 -0.167656D+01 -0.809635D+00  0.140157D+01 -0.218114D+01
      2   0.774858D+00 -0.149782D+01  0.349134D+01  0.905209D+00 -0.306853D+01
      3  -0.192321D+01 -0.456117D+01  0.303263D+02 -0.258712D+00 -0.209329D+01
                31            32            33            34            35 
      1  -0.650310D+00  0.412937D+01 -0.953732D+01 -0.454147D+01 -0.170484D+01
      2   0.432190D+01  0.796916D-01  0.231914D+01 -0.264938D+02  0.418004D+01
      3   0.853091D+01  0.480889D+01  0.107935D+01 -0.708174D+01 -0.846051D+00
                36            37            38            39            40 
      1  -0.333465D+01 -0.761598D+00 -0.115442D+01 -0.217644D+01 -0.559101D+01
      2   0.749224D-02  0.158144D+01 -0.264547D+01  0.829560D+01 -0.272719D+01
      3   0.141894D+01 -0.144196D+02 -0.960638D+00  0.307828D+01  0.149022D+02
                41            42            43            44            45 
      1   0.136470D+01  0.639316D+00 -0.943747D+00  0.351673D+01  0.239010D+01
      2   0.163857D+01 -0.185808D+01 -0.657398D+01 -0.108837D+01  0.184400D+01
      3  -0.118700D+01  0.276486D+01 -0.107173D+02  0.326234D+01  0.223500D+01
                46            47            48            49            50 
      1   0.196672D+00  0.131413D+01  0.338796D+01  0.813610D+01  0.151857D+01
      2  -0.277866D+01 -0.195130D+01  0.382399D+01 -0.398317D+01 -0.173350D+01
      3   0.133725D+02 -0.134767D+01 -0.110144D+01  0.141552D+02  0.152244D+01
                51            52            53            54            55 
      1  -0.237543D+01  0.282387D+01  0.377565D+01  0.718643D+00 -0.197226D+01
      2   0.106116D+01 -0.142790D+01  0.150909D+01 -0.186215D+01 -0.413379D+01
      3  -0.433172D+01 -0.109631D+02 -0.190601D+01 -0.108315D+01  0.159595D+02
                56            57            58            59            60 
      1  -0.217704D+00 -0.637031D+00 -0.529912D+00 -0.543236D+01 -0.852083D+00
      2   0.377587D+00 -0.113329D+01 -0.164309D+01 -0.107939D+02  0.154963D+01
      3   0.994020D+01  0.508771D+00  0.352898D+02  0.264311D+00  0.660643D+01
                61            62            63            64            65 
      1  -0.138313D+00  0.386656D+01  0.434652D+01  0.226164D+01  0.116951D+01
      2  -0.208632D+02  0.638538D+00  0.200686D+02  0.419759D+01  0.142646D+01
      3   0.965389D+01  0.115772D+02  0.155890D+01 -0.196174D+02 -0.198926D+02
                66            67            68            69            70 
      1  -0.167683D+01 -0.125443D+00 -0.178093D+01 -0.169752D+01  0.522347D+00
      2   0.128973D+02  0.480921D+01  0.109137D+02 -0.536192D-01  0.123799D+02
      3  -0.178744D+01 -0.259617D+02  0.613171D+01 -0.941121D+01 -0.102938D+02
                71            72            73            74            75 
      1   0.479332D+01  0.426857D+01  0.175950D+01  0.208695D+01  0.484440D+01
      2   0.287286D+01 -0.323119D+02 -0.573883D+00 -0.395659D+01 -0.503562D+01
      3  -0.138449D+02 -0.204586D+01  0.250861D+02  0.412660D+01  0.871981D+00
                76            77            78            79            80 
      1   0.284934D+01  0.935849D+01  0.156759D+01  0.660584D+01  0.774573D+01
      2  -0.505444D+01 -0.110067D+02 -0.356065D+01 -0.115856D+02 -0.626698D+01
      3   0.102803D+02 -0.715121D+01  0.890395D+01  0.146054D+01  0.123287D+02
                81            82            83            84            85 
      1  -0.115553D+02 -0.405893D+00 -0.465347D+00  0.335794D+00 -0.480886D+00
      2   0.179624D+02 -0.524431D+01 -0.234438D+01 -0.151005D+02 -0.377338D+01
      3   0.243856D+01  0.893214D+01  0.180429D+02  0.293397D+01  0.361123D+02
                86            87            88            89            90 
      1   0.133442D+01 -0.242436D+01  0.738236D+00  0.610610D+00 -0.126011D+01
      2  -0.212516D+02 -0.477849D+00 -0.299819D+02 -0.105927D+01  0.261455D+02
      3  -0.123382D+02  0.222240D+02  0.461890D+01  0.220545D+02  0.135122D+01
                91            92            93            94            95 
      1   0.202018D+01 -0.105102D+01  0.159177D+01  0.709585D+00 -0.155479D+01
      2  -0.105568D+02 -0.358673D-01 -0.193446D+01 -0.103867D+01 -0.438192D+01
      3  -0.427965D+01  0.112703D+01 -0.534974D+00  0.333412D+02 -0.159986D+02
                96            97            98            99           100 
      1  -0.201734D+01  0.127470D+01  0.539183D+01  0.181747D+00  0.117453D+01
      2  -0.101286D+02 -0.167022D+02 -0.984219D+01  0.106210D+02  0.542360D+01
      3  -0.888916D+00  0.253940D+01 -0.751301D+00  0.696872D+01  0.138941D+02
               101           102           103           104           105 
      1   0.183850D+01 -0.380552D+01  0.807857D+00 -0.146234D+01  0.146624D+01
      2  -0.382312D+01  0.715277D+01 -0.200761D+01  0.519016D+01  0.175749D+02
      3  -0.154598D+02  0.184337D+01 -0.682702D+01  0.744539D+00 -0.401678D+01
               106           107           108           109           110 
      1  -0.361468D+01 -0.153342D+01  0.431374D+01 -0.319597D+01 -0.234343D+01
      2  -0.223014D+01  0.135697D+02  0.935714D+01 -0.877517D+01  0.233161D+01
      3   0.100385D+02 -0.122134D+02 -0.104481D+02 -0.651545D-01 -0.921495D+00
               111           112           113           114           115 
      1   0.215676D+01 -0.187756D+01  0.400887D+01 -0.626797D+01  0.713539D+00
      2   0.487739D+01 -0.116432D+01 -0.107876D+02 -0.142689D+02  0.259231D+01
      3  -0.466459D+00 -0.474902D+01  0.192262D+02  0.123667D+02 -0.114231D+02
               116           117           118           119           120 
      1   0.678659D+01 -0.993759D+01  0.405558D+01 -0.984138D+00  0.338880D+00
      2  -0.124652D+02 -0.317313D+02  0.572529D+01 -0.457564D+00  0.175727D+01
      3   0.177244D+02  0.124673D+02 -0.404222D+01  0.538559D+01 -0.280350D+01
               121           122           123           124           125 
      1  -0.173274D+01  0.467175D+01 -0.138525D+01 -0.143124D+01  0.638701D+01
      2   0.488353D+00  0.368047D+01 -0.861925D+00 -0.116364D+01 -0.408964D+01
      3   0.950995D+01 -0.190239D+02 -0.169570D+01  0.231453D+01 -0.600157D+01
               126           127           128           129           130 
      1   0.755580D+01 -0.192424D+01 -0.201791D+01  0.105465D+01 -0.261995D+00
      2   0.156565D+02  0.446636D+01  0.884923D+00 -0.923528D+00  0.490299D+00
      3   0.543973D+01 -0.315887D+00 -0.107712D+01  0.944524D+00  0.117191D+01
               131           132           133           134           135 
      1  -0.118334D+01 -0.293368D+00  0.275447D+01  0.530937D+01 -0.478688D+01
      2  -0.355449D-01  0.578495D+00 -0.473366D+01 -0.326077D+00 -0.178370D+01
      3  -0.495427D+00  0.446273D+00  0.106303D+01  0.221105D+01 -0.173363D+01
               136           137           138           139           140 
      1  -0.419143D+01  0.435338D+01 -0.632119D+00  0.318880D+01 -0.279108D+01
      2  -0.968621D+01  0.310767D+01 -0.127335D+01  0.422088D+01 -0.233264D+01
      3   0.132399D+01 -0.226549D+01  0.596452D+00 -0.363771D+00  0.184292D+01
               141           142           143           144           145 
      1  -0.722802D+00 -0.101209D+01  0.346617D+01 -0.283354D+01  0.185558D+01
      2  -0.151185D-01 -0.375153D+01 -0.393725D+00  0.912175D+00  0.429366D+01
      3  -0.108447D+00  0.199812D+00 -0.211013D+01  0.161476D+01  0.277501D+01
               146           147           148           149           150 
      1  -0.927137D+00 -0.222212D+01  0.103286D+01  0.657161D-01 -0.351154D+01
      2   0.439922D+00 -0.846325D+00  0.680045D+00 -0.104506D+00  0.655745D+00
      3  -0.115703D+00 -0.192334D+01  0.173895D+01 -0.321826D+00 -0.574676D+00
               151           152           153           154           155 
      1  -0.175365D+01  0.225787D+01  0.556046D+01  0.251051D+01  0.127244D+01
      2  -0.429207D+01 -0.314436D+00 -0.102371D+01 -0.520886D+01  0.173039D+00
      3  -0.240762D+01  0.104674D+01  0.172766D+01 -0.486743D+01 -0.820503D+00
               156           157           158           159           160 
      1   0.231563D+01 -0.144565D+01  0.164937D+00 -0.368769D+01  0.243434D+01
      2  -0.163044D+00  0.937339D+00  0.208963D+00 -0.910143D+00 -0.305486D+01
      3  -0.224886D+01  0.364699D+01  0.702453D+00  0.781452D+00 -0.298395D+01
               161           162           163           164           165 
      1   0.155905D+01  0.423601D+01 -0.130798D+01 -0.673773D+00  0.112199D+01
      2  -0.262067D+00  0.221881D+01 -0.507193D+01  0.675600D+00  0.561327D+01
      3  -0.133419D+01 -0.185673D+01 -0.170336D+01 -0.356967D+01  0.550762D+00
               166           167           168           169           170 
      1   0.839931D-01 -0.326175D+00 -0.995717D+00  0.219236D+01  0.220652D+01
      2   0.501639D+00 -0.103510D+01  0.770736D+00  0.229246D+01 -0.397338D+01
      3  -0.325858D+01  0.912450D-01  0.155844D+01  0.317597D+01  0.415973D+01
               171           172           173           174           175 
      1  -0.609422D+01  0.100199D+01 -0.923417D+00  0.141807D+01 -0.160057D+01
      2  -0.201415D+02  0.486090D+01 -0.147523D+01  0.334890D+01 -0.269116D+01
      3   0.368778D+00  0.119808D+01 -0.716823D+01 -0.207090D+00 -0.382293D+01
               176           177           178           179           180 
      1   0.329920D+01 -0.344706D+01  0.160918D+01 -0.112245D+01  0.119066D+01
      2   0.582367D+01 -0.375242D+01  0.356872D+01 -0.407741D+01  0.106448D+01
      3   0.174485D+02 -0.216653D+01 -0.342967D+01 -0.700276D+01  0.188225D+01
               181           182           183           184           185 
      1  -0.231093D+01 -0.150094D+01  0.876387D+00 -0.100308D+01 -0.357715D+00
      2   0.755657D+01  0.665842D+00 -0.466328D+01  0.190448D+01  0.328821D+01
      3   0.228433D+01  0.250759D+01  0.431472D+00  0.515490D+01 -0.771121D+00
               186           187           188           189           190 
      1  -0.656137D+00  0.147427D+01  0.349117D+01 -0.396639D+01  0.643734D+00
      2  -0.603297D+00 -0.851089D+01 -0.755625D+00  0.288768D+02 -0.203360D+01
      3  -0.242253D+01  0.103766D+00 -0.354376D+01 -0.499591D+00 -0.257408D+02
               191           192           193           194           195 
      1   0.562765D+00  0.228550D+01  0.266054D+00 -0.630199D+00 -0.113703D+01
      2   0.383262D+00 -0.229008D+00  0.261161D+00  0.637213D+00  0.238635D+00
      3   0.622969D+01  0.482820D+00  0.653077D+01 -0.374714D+01 -0.109736D+01
               196           197           198           199           200 
      1   0.218270D+01  0.571314D+00  0.751895D+00  0.216780D+01 -0.997852D-01
      2  -0.331842D+01  0.108937D+01 -0.107884D+01 -0.317896D+01 -0.114478D+01
      3   0.764968D+00 -0.213122D+01 -0.263380D+01 -0.214931D+01 -0.336987D+01
               201           202           203           204           205 
      1  -0.302076D+01  0.208745D+00  0.104840D+01 -0.214770D+01 -0.293619D+01
      2   0.516621D+01 -0.203126D+00 -0.176401D+01  0.104879D+01  0.754226D+00
      3  -0.290560D+00 -0.404929D+00 -0.136857D+01  0.175886D+01 -0.220242D+01
               206           207           208           209           210 
      1  -0.358750D-01  0.149091D+02 -0.249777D+01 -0.212084D+01 -0.383890D+01
      2   0.587440D+01 -0.222167D+02  0.330921D+01  0.302833D+01  0.467024D+01
      3   0.691388D+01 -0.472213D+01 -0.445617D+01 -0.910304D+01 -0.736422D+00
               211           212           213           214           215 
      1  -0.325076D+01 -0.546042D+01 -0.591049D+01 -0.331547D+01 -0.323587D+01
      2   0.303892D+01  0.735160D+01  0.591024D+01  0.336653D+01  0.659829D+01
      3  -0.318728D+01 -0.190105D+02 -0.485262D+01 -0.847458D+00 -0.103357D+02
               216           217           218           219           220 
      1  -0.341155D+01  0.329884D+00 -0.422967D+00 -0.114778D+00  0.182547D+00
      2   0.413487D+01 -0.902686D+01  0.274553D+00  0.111389D+02 -0.292160D-01
      3  -0.430782D+01 -0.487686D+00 -0.452988D+01 -0.423980D+00 -0.460364D+01
               221           222           223           224           225 
      1   0.553996D-01 -0.887311D+00 -0.723202D+00  0.254985D+01  0.114589D+01
      2  -0.211279D+01  0.449280D+00  0.158547D+02 -0.236916D+00 -0.353174D+02
      3   0.924613D+00  0.177240D+01 -0.853739D+00  0.636839D+01  0.868359D-01
               226           227           228           229           230 
      1  -0.794325D+00  0.829765D+00  0.403912D+00  0.102181D+01 -0.282657D+01
      2   0.415261D+01 -0.247624D+01  0.542595D+01 -0.404044D+01  0.106039D+02
      3   0.878411D+01 -0.108555D+02  0.304903D+01 -0.146033D+02  0.322135D+02
               231           232           233           234           235 
      1  -0.151631D+01 -0.386914D+00  0.204643D+01  0.123124D+00  0.381726D+00
      2  -0.997989D+01  0.673866D+01 -0.704828D+01  0.595327D+01  0.754544D+01
      3  -0.111966D+02  0.460138D+01 -0.130239D+02  0.695737D+01 -0.117502D+02
               236           237           238           239           240 
      1   0.902714D+00 -0.938841D+00  0.450618D+00  0.138212D+01 -0.161462D+01
      2   0.430877D+01  0.926217D+01  0.671066D+01  0.932537D+01  0.100912D+02
      3  -0.128947D+02 -0.495674D+01 -0.163258D+02 -0.204677D+02 -0.101085D+02
               241           242           243           244           245 
      1  -0.540644D+00  0.160419D+01 -0.702556D+00  0.137470D+00 -0.477446D+00
      2   0.108331D+02  0.699099D+01  0.850943D+01 -0.503813D+01 -0.471306D+00
      3  -0.704436D+01 -0.121978D+02 -0.707707D+01 -0.304437D+01 -0.231181D+01
               246           247           248           249           250 
      1  -0.632965D+00 -0.150553D+00  0.215485D+00 -0.169227D+01 -0.604141D+00
      2   0.378515D+01  0.437497D-01 -0.305118D+01  0.535536D+01  0.969661D+00
      3   0.570645D-01 -0.106233D+01 -0.232194D+01  0.313758D+01 -0.974950D+00
               251           252           253           254           255 
      1   0.225562D+01  0.259777D+01 -0.210195D+01  0.856916D+00 -0.245783D+01
      2   0.449388D+01 -0.162305D+02  0.180805D+02  0.507266D+01  0.862641D+01
      3   0.462887D+01 -0.341882D+01 -0.152709D+02 -0.132999D+02 -0.107639D+01
               256           257           258           259           260 
      1  -0.127274D+01 -0.634280D+01 -0.589839D+01 -0.142545D+01 -0.138399D+01
      2   0.480371D+01  0.266541D-01  0.894356D+01  0.599584D+01  0.996071D+01
      3  -0.492752D+01  0.238120D+02  0.941107D+00  0.105830D+01 -0.262050D+01
               261           262           263           264           265 
      1   0.775735D+01  0.188629D-01  0.565570D+00  0.850579D+00  0.110355D+01
      2  -0.146737D+02  0.144602D+01 -0.945608D+00  0.168490D+01 -0.151141D+01
      3  -0.714981D+01  0.351391D+01 -0.461311D+01  0.156293D+01 -0.767818D+01
               266           267           268           269           270 
      1  -0.394075D+01 -0.314663D+01 -0.383573D+00  0.429239D+00 -0.568753D+00
      2   0.468136D+01 -0.569587D+01  0.426628D+00 -0.156157D+01  0.176135D+01
      3   0.284551D+02 -0.567426D+01 -0.720482D+00  0.174176D+01  0.191126D+01
               271           272           273           274           275 
      1  -0.165951D+01 -0.777483D+00  0.487939D+00 -0.107615D+00 -0.212803D+01
      2   0.404936D+01  0.986975D-01 -0.220911D+01  0.124460D+01  0.309994D+01
      3   0.208237D+01  0.104389D+01  0.974832D+00  0.846246D+00  0.429903D+00
               276           277           278           279           280 
      1   0.212119D+01 -0.144839D+00  0.475763D+01 -0.103989D+02  0.844769D+00
      2  -0.557829D+01 -0.255361D+01 -0.248145D+01  0.242312D+02 -0.883435D+01
      3  -0.262331D+01  0.124134D+01 -0.459082D+01  0.284166D+01  0.140518D+02
               281           282           283           284           285 
      1   0.825697D+00 -0.201033D+01  0.903719D+00  0.544878D+00 -0.142608D-01
      2  -0.251706D+00  0.798732D+01 -0.831301D+00 -0.997645D+00 -0.109175D+01
      3  -0.643889D+01 -0.667046D+00 -0.370056D+01 -0.988438D+00  0.287400D+00
               286           287           288           289           290 
      1  -0.174870D+01  0.837910D+00 -0.120628D+00  0.107489D+01 -0.775655D+00
      2   0.402909D+01 -0.615535D+00 -0.470264D+00 -0.731685D+00 -0.190330D+01
      3  -0.112893D+01  0.158679D+01  0.190869D+01 -0.447607D+01  0.742183D+01
               291           292           293           294           295 
      1   0.150816D+01 -0.411783D+00  0.598367D+01 -0.377336D+01  0.672525D+00
      2  -0.156051D+01 -0.104733D+01  0.407581D+01  0.385915D+01 -0.165750D+01
      3   0.542773D+00  0.472654D+01 -0.324552D+02 -0.271189D+01 -0.728748D+00
               296           297 
      1  -0.286428D+00 -0.777009D-01
      2   0.235983D+01  0.149881D+01
      3   0.112060D+01 -0.252248D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.145815D+01 -0.861803D+01  0.232548D+02  0.165457D+02 -0.364857D+01
      2   0.566665D+01  0.365505D+01 -0.830747D+01 -0.386650D+01  0.432482D+01
      3  -0.420850D+01  0.496298D+01 -0.149473D+02 -0.126792D+02 -0.676248D+00
      4  -0.408051D+01  0.339077D+01 -0.798065D+00  0.910374D+01  0.437225D+01
      5   0.183013D+02  0.953792D+00 -0.767097D+01 -0.452031D+01 -0.284221D+01
      6   0.747615D+00 -0.371232D+01 -0.556162D+00 -0.979118D+00  0.382297D+01
                 6             7             8             9            10 
      1  -0.163154D+02 -0.247644D+02 -0.101449D+02  0.411065D+01  0.504351D+02
      2   0.145020D+01  0.344402D+01  0.185711D+01  0.405044D+01 -0.186710D+02
      3   0.148652D+02  0.213204D+02  0.828777D+01 -0.816109D+01 -0.317640D+02
      4  -0.409021D+01  0.289214D+01 -0.238843D+01 -0.524538D+01 -0.108344D+02
      5  -0.381755D+01  0.886197D+01 -0.438016D+01  0.612321D+01 -0.281297D+01
      6   0.126857D+02 -0.661919D+01  0.625826D+01  0.147615D+02  0.121539D+01
                11            12            13            14            15 
      1   0.801105D+01 -0.510552D+00  0.106810D+02 -0.559761D+00  0.599238D+01
      2  -0.708545D+01  0.277592D+01 -0.105830D+02  0.679198D+01 -0.994825D+00
      3  -0.925595D+00 -0.226537D+01 -0.979244D-01 -0.623222D+01 -0.499755D+01
      4   0.147561D+01 -0.337881D+01  0.175267D+02 -0.515265D+01 -0.131433D+01
      5  -0.395741D+01  0.673219D+01  0.108233D+02 -0.436506D+00 -0.238274D+01
      6   0.289571D-01 -0.685536D+01 -0.513740D+01  0.407760D+01  0.838517D+01
                16            17            18            19            20 
      1  -0.967686D+01  0.727345D+01 -0.182048D+02 -0.318820D+01  0.632431D+01
      2  -0.462294D+00  0.462884D+01  0.159170D+01 -0.699171D+00 -0.230081D+01
      3   0.101391D+02 -0.119023D+02  0.166131D+02  0.388737D+01 -0.402349D+01
      4   0.155103D+02 -0.163407D+00 -0.443256D+00  0.678983D+01 -0.194598D+01
      5  -0.154451D+02 -0.175011D+01 -0.406520D+01 -0.155961D+02  0.225534D+01
      6  -0.427541D+01  0.630403D+00 -0.537392D+01  0.228722D+01  0.520806D+01
                21            22            23            24            25 
      1  -0.278134D+02 -0.920538D+01 -0.557742D+01 -0.703411D+01  0.241957D+02
      2   0.717677D+01 -0.159889D+01  0.600726D+01  0.319843D+00 -0.175202D+01
      3   0.206366D+02  0.108043D+02 -0.429840D+00  0.671426D+01 -0.224437D+02
      4   0.216701D+01  0.321160D+01 -0.744582D+00  0.377899D+01  0.224380D+01
      5  -0.274505D+01  0.683878D+00  0.226557D+01  0.677142D+01  0.100939D+02
      6   0.597604D+01  0.178668D+01  0.317692D+01  0.867324D+01  0.109085D+02
                26            27            28            29            30 
      1  -0.907936D+01  0.823803D+01  0.175556D+02 -0.346849D+01  0.232591D+01
      2   0.163438D+01 -0.164831D+01 -0.538694D+01  0.702660D+01  0.523634D+00
      3   0.744498D+01 -0.658972D+01 -0.121687D+02 -0.355811D+01 -0.284954D+01
      4   0.433170D+01  0.693361D+01  0.176434D+02  0.250723D+01 -0.237471D+01
      5   0.550642D+01 -0.456065D+01  0.180971D+01 -0.176798D+01  0.787575D+01
      6   0.289039D+01  0.110829D+02  0.401825D+01 -0.101871D+01  0.514070D+01
                31            32            33            34            35 
      1  -0.288246D+01 -0.220252D+01  0.849379D+01 -0.922441D+01  0.950726D+01
      2   0.840392D+01  0.533657D+01 -0.241387D+01  0.274906D+01  0.329974D+01
      3  -0.552146D+01 -0.313405D+01 -0.607991D+01  0.647535D+01 -0.128070D+02
      4   0.150235D+02  0.114109D+01  0.162812D+01  0.119860D+02  0.528247D+01
      5   0.136866D+02 -0.245765D+00  0.216085D+01 -0.181593D+02  0.380860D+01
      6  -0.140050D+01  0.363637D+01  0.659126D+01 -0.110712D+01  0.750509D+00
                36            37            38            39            40 
      1  -0.212230D+02  0.115877D+02 -0.134998D+02  0.263799D+02  0.480603D+01
      2   0.381216D+01 -0.102402D+00  0.119938D+02 -0.127283D+02  0.388561D+01
      3   0.174108D+02 -0.114853D+02  0.150603D+01 -0.136516D+02 -0.869164D+01
      4   0.123263D+01 -0.861284D+01 -0.430803D+00  0.372003D+01  0.142922D+02
      5  -0.305050D+00  0.162674D+02  0.194158D+01 -0.927907D+01 -0.345910D+00
      6  -0.696034D+01 -0.113282D+01 -0.617400D+01  0.620259D+01 -0.400259D+00
                41            42            43            44            45 
      1  -0.125035D+02 -0.541772D+01 -0.180391D+02 -0.453073D+01  0.864787D+01
      2   0.186619D+02 -0.109070D+02  0.186303D+01 -0.351630D+01 -0.174290D+01
      3  -0.615845D+01  0.163247D+02  0.161761D+02  0.804704D+01 -0.690496D+01
      4   0.711463D+01 -0.273581D+01 -0.365098D+01 -0.229446D+01 -0.598841D+01
      5  -0.159294D+01 -0.278781D+01  0.106236D+02 -0.642232D+01  0.675692D+01
      6  -0.735849D+01  0.684784D+01 -0.107146D+02  0.166076D+01  0.810902D+01
                46            47            48            49            50 
      1  -0.110487D+02  0.111740D+02 -0.276149D+02 -0.651933D+01 -0.161344D+02
      2   0.322826D+01 -0.993285D+01  0.961386D+01 -0.528221D+01  0.224422D+02
      3   0.782048D+01 -0.124117D+01  0.180010D+02  0.118015D+02 -0.630780D+01
      4   0.876349D+01 -0.318539D+00  0.512892D+01  0.570057D+01 -0.674164D+01
      5  -0.161097D+02  0.476631D+01 -0.233063D+01  0.500226D+01  0.221657D+01
      6   0.382755D+01  0.611850D+01 -0.527742D+01  0.169285D+00 -0.641330D+01
                51            52            53            54            55 
      1   0.247226D+01  0.374765D+02 -0.402740D+01  0.904998D+01 -0.365308D+02
      2  -0.108533D+02 -0.903750D+01 -0.115808D+01 -0.467001D+01  0.119824D+02
      3   0.838105D+01 -0.284390D+02  0.518548D+01 -0.437997D+01  0.245484D+02
      4   0.175318D+01 -0.419502D+01  0.575866D+00  0.649941D+01  0.104088D+01
      5   0.604325D+01  0.546974D+01  0.660136D+01 -0.650265D+01 -0.425996D+01
      6   0.432995D+01  0.108046D+02 -0.212844D+01  0.760534D+01  0.275504D+01
                56            57            58            59            60 
      1  -0.887598D+01 -0.364668D+01 -0.389416D+02 -0.296726D+02 -0.414350D+01
      2   0.625553D+01 -0.134779D+01  0.269616D+02  0.417322D+01  0.497688D+01
      3   0.262044D+01  0.499447D+01  0.119801D+02  0.254994D+02 -0.833383D+00
      4  -0.245219D+02  0.262910D-01 -0.502304D+02  0.243850D+02 -0.132856D+02
      5  -0.545543D+00 -0.110350D+02 -0.418483D+01 -0.138397D+02  0.726009D+00
      6   0.467036D+00  0.148578D+01 -0.129149D+01  0.484428D+01 -0.230339D+00
                61            62            63            64            65 
      1  -0.292629D+02 -0.732626D+01 -0.834702D+01 -0.560913D+02  0.141554D+02
      2   0.421720D+01  0.690336D+01  0.121683D+02  0.349780D+02 -0.225189D+01
      3   0.250457D+02  0.422896D+00 -0.382129D+01  0.211133D+02 -0.119035D+02
      4  -0.496435D+01 -0.221904D+02  0.755471D+01  0.156415D+02  0.284696D+02
      5  -0.252078D+02  0.473369D+01  0.385873D+02 -0.263989D+01  0.314818D+01
      6   0.408524D+01 -0.190169D+01 -0.653477D+01  0.590660D+00 -0.250892D+01
                66            67            68            69            70 
      1  -0.319867D+01  0.513140D+02  0.500532D+02 -0.608604D+00  0.182697D+02
      2  -0.116185D+01 -0.215296D+02 -0.282027D+02  0.268289D+01 -0.673990D+01
      3   0.436052D+01 -0.297844D+02 -0.218505D+02 -0.207428D+01 -0.115298D+02
      4   0.246113D+01  0.460628D+02 -0.134796D+02  0.169872D+02  0.644986D+01
      5   0.180013D+02  0.793913D+01  0.195544D+02  0.179189D+01  0.355380D+02
      6   0.338895D+01  0.282605D+01  0.498608D+01 -0.104990D+01  0.289741D+01
                71            72            73            74            75 
      1   0.113238D+01  0.348380D+02  0.527493D+02 -0.527510D+01 -0.665148D+01
      2   0.457077D+01 -0.973999D+01 -0.358004D+02 -0.862000D+01 -0.902079D+00
      3  -0.570315D+01 -0.250980D+02 -0.169489D+02  0.138951D+02  0.755356D+01
      4   0.218507D+02  0.436218D+01 -0.228467D+01 -0.296097D+02 -0.752081D+01
      5   0.348871D+01 -0.542233D+02 -0.621216D+01 -0.567571D+01 -0.131044D+02
      6   0.429757D+01 -0.678331D+01 -0.662679D+01 -0.253415D+01 -0.947729D+01
                76            77            78            79            80 
      1  -0.907958D+01 -0.319691D+02  0.407761D+01 -0.113087D+02  0.349713D+01
      2  -0.797658D+01  0.127736D+02 -0.127175D+02 -0.208248D+01 -0.161309D+02
      3   0.170562D+02  0.191955D+02  0.863987D+01  0.133912D+02  0.126337D+02
      4  -0.348301D+02 -0.126974D+02 -0.214004D+02 -0.788774D+01 -0.307416D+02
      5  -0.621319D+01 -0.212149D+02 -0.704131D+01 -0.209598D+02 -0.138879D+02
      6  -0.517001D+01 -0.173775D+02 -0.367000D+01 -0.111206D+02 -0.832637D+01
                81            82            83            84            85 
      1  -0.963441D+01  0.670760D+02 -0.173927D+02 -0.268496D+01 -0.294793D+02
      2   0.916640D+01 -0.358561D+02  0.799837D+01 -0.943918D-02  0.134997D+02
      3   0.468018D+00 -0.312199D+02  0.939437D+01  0.269440D+01  0.159796D+02
      4  -0.190559D+02 -0.200867D+02 -0.383235D+02 -0.613377D+01 -0.593830D+02
      5   0.402032D+02 -0.578813D+01 -0.671831D+01 -0.325400D+02 -0.105480D+02
      6   0.199943D+02 -0.172353D+01 -0.505627D+01 -0.213964D+01 -0.973258D+01
                86            87            88            89            90 
      1  -0.521533D+02 -0.602667D+01 -0.121636D+02 -0.582380D+01 -0.450087D+02
      2   0.262131D+02  0.172054D+01  0.224038D+01  0.161315D+01  0.244324D+02
      3   0.259403D+02  0.430613D+01  0.992324D+01  0.421065D+01  0.205763D+02
      4   0.201336D+02 -0.423860D+02 -0.986929D+01 -0.411965D+02 -0.431681D+01
      5  -0.456531D+02 -0.305290D+01 -0.530634D+02 -0.310191D+01  0.490003D+02
      6   0.645045D-01 -0.514717D+01 -0.369208D+01 -0.568172D+01  0.170436D+01
                91            92            93            94            95 
      1   0.592231D+01 -0.206002D+01 -0.652497D+01 -0.465084D+01 -0.176379D+02
      2  -0.524459D+01 -0.193956D+01  0.106415D+01  0.592135D+01  0.873843D+01
      3  -0.677727D+00  0.399959D+01  0.546082D+01 -0.127051D+01  0.889945D+01
      4  -0.138301D+02 -0.167414D+02 -0.480346D+01 -0.383910D+02  0.166098D+02
      5  -0.173816D+02 -0.320488D+01 -0.111479D+02 -0.119897D+02 -0.661638D+01
      6  -0.585060D+00 -0.626923D+01 -0.697977D+01 -0.228788D+01  0.166292D+01
                96            97            98            99           100 
      1  -0.727431D+01 -0.184164D+02 -0.824598D+01 -0.512498D+01  0.674377D+01
      2   0.340017D+01  0.362358D+01 -0.127804D+01  0.606481D+01 -0.185050D+01
      3   0.387415D+01  0.147928D+02  0.952401D+01 -0.939830D+00 -0.489326D+01
      4  -0.663417D+01 -0.203152D+02 -0.717979D+01 -0.229482D+02  0.993429D+01
      5  -0.205574D+02 -0.204309D+02 -0.217045D+02  0.204198D+02  0.132519D+02
      6  -0.374949D+01 -0.100801D+02 -0.573867D+01  0.722342D+01 -0.600824D+01
               101           102           103           104           105 
      1   0.275298D+01  0.488870D+01  0.141416D+02  0.671754D+01  0.843916D+00
      2  -0.599254D+00 -0.353241D+01 -0.133123D+02 -0.989237D+00  0.412334D+01
      3  -0.215372D+01 -0.135629D+01 -0.829320D+00 -0.572830D+01 -0.496726D+01
      4   0.206771D+01 -0.454866D+01 -0.281385D+00 -0.115136D+02  0.953649D+01
      5  -0.585026D+01 -0.496574D+01 -0.128355D+02  0.115825D+02  0.339395D+02
      6   0.431543D+01  0.778022D+01  0.562639D+01 -0.108575D+02 -0.188168D+02
               106           107           108           109           110 
      1   0.168237D+02 -0.982969D+00 -0.114636D+01  0.211743D+02 -0.146366D+02
      2  -0.236592D+01 -0.753456D+01  0.383677D+01 -0.128794D+02  0.679949D+01
      3  -0.144578D+02  0.851753D+01 -0.269041D+01 -0.829493D+01  0.783708D+01
      4  -0.128908D+02  0.262025D+02  0.261946D+02 -0.206340D+02  0.172977D+02
      5  -0.228105D+02  0.271065D+02  0.191186D+02 -0.305932D+02  0.971188D+01
      6   0.140807D+02 -0.219892D+02 -0.124070D+02  0.114998D+02 -0.328174D+01
               111           112           113           114           115 
      1  -0.227573D+02 -0.143416D+02 -0.678914D+01 -0.596894D+01 -0.286470D+02
      2   0.147715D+02  0.431068D+01  0.158057D+02  0.377987D+01  0.173522D+02
      3   0.798587D+01  0.100310D+02 -0.901652D+01  0.218908D+01  0.112948D+02
      4   0.123683D+02  0.281813D+02 -0.340401D+02 -0.247815D+02  0.254290D+02
      5   0.226405D+02  0.189544D+02 -0.270092D+02 -0.294124D+02  0.388554D+02
      6  -0.554310D+01 -0.846027D+01  0.241310D+02  0.262946D+02 -0.148310D+02
               116           117           118           119           120 
      1  -0.422108D+01 -0.415727D+01  0.656147D+01 -0.290769D+01  0.122420D+02
      2   0.627550D+01 -0.158167D+02 -0.728202D+01  0.829281D+01 -0.814785D+01
      3  -0.205442D+01  0.199740D+02  0.720552D+00 -0.538512D+01 -0.409415D+01
      4  -0.334872D+02 -0.271974D+02  0.281263D+01 -0.972633D+01 -0.298569D+01
      5  -0.302127D+02 -0.690397D+02  0.108906D+02  0.135099D+01  0.742581D+01
      6   0.272997D+02  0.358210D+02 -0.346032D+01 -0.206339D+01 -0.152704D+01
               121           122           123           124           125 
      1   0.223830D+01 -0.690229D+01  0.355352D+01  0.177259D+02  0.117952D+01
      2   0.983414D+01 -0.154860D+02 -0.549862D+00 -0.985752D+01 -0.235438D+01
      3  -0.120724D+02  0.223883D+02 -0.300366D+01 -0.786836D+01  0.117486D+01
      4  -0.205254D+02  0.479055D+02  0.858223D+00 -0.973265D+01  0.110168D+02
      5   0.170644D+01  0.473666D+00 -0.226409D+01  0.174814D+02 -0.114528D+02
      6  -0.419384D+01  0.324153D+01  0.715245D+01 -0.464358D+01  0.133388D+02
               126           127           128           129           130 
      1  -0.105076D+01 -0.706048D+00 -0.920714D-01  0.361045D+01 -0.245985D+01
      2  -0.737091D+01 -0.546744D+01 -0.126187D+01  0.574504D+01 -0.519582D+00
      3   0.842167D+01  0.617349D+01  0.135394D+01 -0.935550D+01  0.297943D+01
      4  -0.106962D+02  0.872473D+00  0.248721D+01 -0.668290D+00  0.118859D+01
      5   0.315570D+02 -0.957093D+01 -0.251777D+01  0.122992D+02 -0.278077D+01
      6  -0.169732D+02  0.328698D+00 -0.166769D+01 -0.579800D+00 -0.101588D+01
               131           132           133           134           135 
      1  -0.314684D+01  0.759204D+01  0.380800D+01  0.470714D+01 -0.235030D+02
      2  -0.406019D+00  0.319300D+01  0.689754D+01  0.193147D+01 -0.146614D+02
      3   0.355286D+01 -0.107850D+02 -0.107055D+02 -0.663861D+01  0.381644D+02
      4   0.115340D+01 -0.123377D+01 -0.171605D+01 -0.305260D+01  0.176175D+01
      5  -0.258167D+01  0.438490D+01  0.122238D+02  0.403508D+01 -0.194519D+02
      6  -0.278532D+01  0.174656D+01  0.861567D+00  0.544954D+01 -0.239008D+01
               136           137           138           139           140 
      1   0.526655D+01 -0.177959D+01 -0.103829D+01 -0.215548D+01  0.302797D+00
      2  -0.550099D+01  0.829902D+00 -0.486660D+01  0.192127D+01 -0.338653D+00
      3   0.234436D+00  0.949685D+00  0.590489D+01  0.234203D+00  0.358557D-01
      4  -0.554025D+01  0.655881D+01 -0.680133D+00  0.632192D+01 -0.575251D+01
      5   0.119151D+02 -0.269632D+01  0.104944D+02 -0.455760D+01  0.306645D+01
      6  -0.106247D+01  0.219879D+01 -0.809851D+00  0.150602D+01 -0.317944D+01
               141           142           143           144           145 
      1   0.524025D+01 -0.412627D+01  0.472403D+01 -0.129341D+02 -0.255133D+01
      2   0.270400D+01 -0.624701D+01  0.124472D+01 -0.929778D+01 -0.272449D+01
      3  -0.794424D+01  0.103733D+02 -0.596875D+01  0.222318D+02  0.527582D+01
      4   0.104614D+01  0.619545D-01  0.187111D+01 -0.235852D+01  0.544618D+01
      5  -0.627674D+01  0.132682D+02 -0.430422D+01  0.167719D+02 -0.918676D+01
      6   0.185283D+01 -0.139862D+01  0.461904D+01 -0.343135D+01 -0.592595D+01
               146           147           148           149           150 
      1  -0.192665D+01  0.550352D+01 -0.252131D+01 -0.437278D+01  0.829915D+01
      2   0.373446D+00  0.281894D+01 -0.527694D+00  0.829980D+00  0.756890D+00
      3   0.155320D+01 -0.832246D+01  0.304901D+01  0.354280D+01 -0.905604D+01
      4   0.388134D+01 -0.543020D+01  0.233557D+01  0.170765D+01 -0.280721D+01
      5  -0.354690D+01  0.118137D+02 -0.350411D+01 -0.257134D+01  0.425989D+01
      6  -0.362879D+01  0.648397D+01 -0.302845D+01 -0.491197D+01  0.820847D+01
               151           152           153           154           155 
      1   0.744050D+01  0.106649D+02 -0.284633D+02  0.232650D+01  0.247147D+01
      2   0.208121D+01 -0.301541D+01 -0.526312D+01 -0.333804D+01 -0.208719D+01
      3  -0.952171D+01 -0.764946D+01  0.337264D+02  0.101153D+01 -0.384280D+00
      4  -0.571122D+01 -0.539189D+01  0.796991D+01 -0.101832D+02  0.717554D+01
      5   0.109117D+02  0.531992D+01 -0.173223D+02  0.151857D+02 -0.576647D+01
      6   0.844396D+01  0.126580D+02 -0.229696D+02 -0.871795D+01  0.569855D+01
               156           157           158           159           160 
      1  -0.219887D+01  0.222813D+00 -0.340291D+01  0.542670D+01 -0.412225D+01
      2  -0.239533D+01  0.110319D+01  0.152952D+01  0.376162D+00 -0.263561D+01
      3   0.459420D+01 -0.132601D+01  0.187339D+01 -0.580286D+01  0.675786D+01
      4  -0.811768D+01  0.493185D+01 -0.496578D+01  0.549049D+01 -0.857570D+01
      5   0.141438D+02 -0.707643D+01  0.469856D+01 -0.773480D+01  0.152261D+02
      6  -0.879060D+01  0.524176D+01 -0.570151D+01  0.821951D+01 -0.103295D+02
               161           162           163           164           165 
      1   0.805109D+01 -0.159958D+02  0.848295D+01  0.200749D+00 -0.739873D+01
      2  -0.355088D+01 -0.296312D+01 -0.798785D+01 -0.500868D+00  0.648643D+01
      3  -0.450022D+01  0.189589D+02 -0.495101D+00  0.300119D+00  0.912304D+00
      4   0.724489D+01 -0.106215D+02 -0.206322D+01  0.725683D+01  0.416958D+01
      5  -0.757304D+01  0.204659D+02 -0.136631D+02  0.279768D+01  0.150878D+02
      6   0.116112D+02 -0.184506D+02  0.217293D+01 -0.138661D+01 -0.214759D+01
               166           167           168           169           170 
      1   0.807254D+01  0.190964D+01 -0.180722D+01 -0.153436D+02 -0.283528D+01
      2  -0.511558D+01 -0.506016D+00  0.131663D+01  0.136319D+02  0.419456D+00
      3  -0.295696D+01 -0.140362D+01  0.490590D+00  0.171167D+01  0.241582D+01
      4   0.757649D+01 -0.354843D+01 -0.407789D+01  0.616351D+01 -0.875663D+01
      5  -0.681341D+00 -0.432404D+01  0.158570D+01  0.225031D+02 -0.845221D+01
      6  -0.148649D+01  0.121150D+01  0.509544D+01 -0.516652D+01  0.649732D+01
               171           172           173           174           175 
      1  -0.431669D+01  0.208525D+02 -0.886443D+01  0.395201D+01 -0.150740D+02
      2  -0.135077D+02 -0.413840D+01 -0.356223D+00 -0.940374D+00 -0.225068D+01
      3   0.178244D+02 -0.167141D+02  0.922065D+01 -0.301164D+01  0.173247D+02
      4  -0.112877D+02 -0.211310D+02  0.238282D+02 -0.195206D+01  0.348051D+02
      5  -0.442217D+02  0.512245D+01 -0.777410D+00  0.513593D+01 -0.177874D+01
      6   0.117211D+02 -0.151020D+01  0.483456D-01 -0.120702D+01  0.102327D+01
               176           177           178           179           180 
      1   0.651457D+00  0.331324D+00  0.197972D+02  0.106056D+01  0.166983D+01
      2   0.202077D+02 -0.271480D+01 -0.595000D+01 -0.464203D+01 -0.367894D+00
      3  -0.208591D+02  0.238348D+01 -0.138472D+02  0.358146D+01 -0.130193D+01
      4  -0.502966D+02  0.685112D+01 -0.974552D+01  0.166416D+02 -0.888794D+01
      5   0.627747D+01 -0.597172D+01  0.930859D+01 -0.767498D+01  0.276002D+01
      6  -0.207706D+01  0.472489D+01 -0.359121D+01  0.545650D+01 -0.240634D+01
               181           182           183           184           185 
      1  -0.126597D+01 -0.250322D+01  0.112925D+02 -0.819917D+01 -0.113867D+02
      2  -0.304096D+01  0.206692D+00 -0.292481D+01  0.343623D+01  0.540766D+01
      3   0.430693D+01  0.229653D+01 -0.836773D+01  0.476295D+01  0.597908D+01
      4  -0.428169D+01 -0.405047D+01  0.243268D+00 -0.313069D+01  0.102462D+01
      5   0.697326D+01 -0.223446D+00 -0.249189D+01  0.831475D+00  0.384912D+01
      6   0.138034D+01  0.778407D-01 -0.158109D+01 -0.512233D+00  0.138299D+00
               186           187           188           189           190 
      1  -0.729997D-01  0.207588D+02 -0.610830D+00 -0.234699D+02 -0.542482D+02
      2   0.829166D+00 -0.906494D+01  0.118927D+01 -0.858722D+01  0.311921D+02
      3  -0.756166D+00 -0.116938D+02 -0.578445D+00  0.320571D+02  0.230560D+02
      4   0.348378D+01  0.160252D+01  0.616370D+01 -0.163027D+01 -0.175260D+02
      5  -0.554070D+00 -0.148956D+00 -0.216727D+00  0.493447D+02  0.271422D+01
      6   0.666485D+01 -0.289688D+00  0.360131D+01  0.678682D+01  0.233537D+01
               191           192           193           194           195 
      1   0.142903D+02  0.187265D+01  0.659409D+01 -0.973933D+01 -0.719122D+00
      2  -0.147757D+02 -0.769517D+00 -0.740249D+01  0.905153D+01  0.153247D+01
      3   0.485435D+00 -0.110314D+01  0.808401D+00  0.687800D+00 -0.813346D+00
      4  -0.439192D+01  0.222658D+01  0.172578D+01 -0.687597D+00  0.194499D+01
      5   0.120647D+01 -0.167105D+01 -0.775885D-01  0.229727D+01  0.790531D+00
      6   0.389937D+00 -0.352535D+01  0.689307D+00  0.112294D+01  0.201645D+01
               196           197           198           199           200 
      1   0.342688D+01 -0.249377D+01 -0.501484D+01  0.269691D+01  0.154758D+01
      2  -0.114510D+01  0.316432D+01  0.189001D+01 -0.205262D+01  0.159663D+01
      3  -0.228177D+01 -0.670550D+00  0.312483D+01 -0.644294D+00 -0.314422D+01
      4   0.936066D+00  0.363446D+01  0.193119D+01  0.564260D+01  0.934215D+01
      5   0.141984D+01  0.288239D+01 -0.331815D+01 -0.101580D+02 -0.347497D+01
      6  -0.196859D+01  0.345513D+01 -0.135990D+01 -0.373971D+01 -0.201617D+01
               201           202           203           204           205 
      1  -0.672102D+01 -0.834243D+00 -0.346213D+00  0.241982D+01 -0.114828D+02
      2   0.537472D+01  0.241667D+01  0.182835D+01 -0.246015D+01  0.800704D+01
      3   0.134631D+01 -0.158243D+01 -0.148214D+01  0.403312D-01  0.347576D+01
      4  -0.543355D+01  0.601137D+01  0.615874D+01 -0.463042D+01 -0.923554D+01
      5   0.142110D+02 -0.402717D+00 -0.493481D+01  0.273240D+01  0.160065D+02
      6   0.548764D+01 -0.147827D+01 -0.274889D+01  0.736517D+01  0.737834D+01
               206           207           208           209           210 
      1   0.559755D+01 -0.621903D+01  0.128755D+02  0.877965D+01  0.520580D+01
      2  -0.561037D+01 -0.875819D+01  0.222737D+01  0.828832D+01  0.164481D+00
      3   0.128186D-01  0.149772D+02 -0.151028D+02 -0.170680D+02 -0.537028D+01
      4  -0.139225D+02  0.164937D+02  0.259580D+02  0.334145D+02  0.833534D+01
      5   0.141104D+02 -0.495276D+02  0.775011D+01  0.593006D+01  0.906796D+01
      6   0.124464D+02 -0.282294D+02  0.498324D+01  0.477318D+01  0.621207D+01
               211           212           213           214           215 
      1   0.891370D+01 -0.325710D+01 -0.117652D+01  0.951337D+01 -0.218644D+01
      2   0.838119D+01  0.319564D+02  0.793775D+01 -0.198455D+00  0.128215D+02
      3  -0.172949D+02 -0.286993D+02 -0.676123D+01 -0.931492D+01 -0.106351D+02
      4   0.332432D+02  0.561300D+02  0.150589D+02  0.160929D+02  0.275905D+02
      5   0.639459D+01  0.136086D+02  0.105111D+02  0.110599D+02  0.137076D+02
      6   0.541574D+01  0.122230D+02  0.101168D+02  0.733759D+01  0.122293D+02
               216           217           218           219           220 
      1   0.109672D+01  0.251303D+02  0.108156D+01 -0.189975D+02  0.318045D+01
      2   0.244446D+01 -0.147327D+02 -0.344344D+00  0.106357D+02 -0.127916D+01
      3  -0.354119D+01 -0.103976D+02 -0.737219D+00  0.836178D+01 -0.190129D+01
      4   0.156075D+02  0.194624D+01  0.852376D+01  0.360543D+00  0.140561D+02
      5   0.876485D+01 -0.195983D+02  0.788590D+00  0.234866D+02  0.134507D+00
      6   0.796195D+01 -0.414823D+00  0.308016D+00  0.462483D+00 -0.793650D+00
               221           222           223           224           225 
      1   0.970030D+01  0.653753D+00 -0.501259D+02  0.179342D+01  0.296185D+02
      2  -0.485497D+01 -0.611857D+00  0.292225D+02 -0.156748D+01 -0.232726D+02
      3  -0.484533D+01 -0.418959D-01  0.209034D+02 -0.225944D+00 -0.634593D+01
      4  -0.153325D+01 -0.422162D+01 -0.949674D-01 -0.113476D+02  0.674649D+00
      5  -0.396011D+01  0.968094D+00  0.428097D+02 -0.355740D+00 -0.691747D+02
      6  -0.537716D+00  0.405894D+01  0.175219D+01  0.415159D+01 -0.235704D+01
               226           227           228           229           230 
      1   0.243197D+02 -0.190384D+02  0.975329D+01 -0.435818D+02  0.291045D+02
      2  -0.117764D+02  0.917818D+01 -0.535647D+01  0.215529D+02 -0.974303D+01
      3  -0.125433D+02  0.986020D+01 -0.439683D+01  0.220289D+02 -0.193615D+02
      4  -0.195127D+02  0.230404D+02 -0.680091D+01  0.399773D+02 -0.621838D+02
      5   0.114664D+02 -0.763701D+01  0.118365D+02 -0.149342D+02  0.239640D+02
      6  -0.250991D+01  0.196717D+01 -0.932704D+00  0.448518D+01 -0.714259D+01
               231           232           233           234           235 
      1  -0.902058D+01  0.211092D+02 -0.787523D+01  0.134159D+02  0.551313D+02
      2   0.582271D+01 -0.118658D+02  0.501116D+01 -0.978138D+01 -0.265587D+02
      3   0.319787D+01 -0.924336D+01  0.286406D+01 -0.363450D+01 -0.285726D+02
      4   0.223896D+02 -0.116400D+02  0.246439D+02 -0.139975D+02  0.317597D+02
      5  -0.198852D+02  0.209819D+02 -0.152746D+02  0.136886D+02  0.233239D+02
      6   0.583729D+01 -0.224599D+01  0.611916D+01 -0.417061D+01  0.522619D+01
               236           237           238           239           240 
      1   0.261678D+02  0.182289D+02  0.561694D+02  0.288099D+02  0.133264D+02
      2  -0.116218D+02 -0.981782D+01 -0.251135D+02 -0.814679D+01 -0.678740D+01
      3  -0.145460D+02 -0.841107D+01 -0.310559D+02 -0.206631D+02 -0.653904D+01
      4   0.274610D+02  0.119347D+02  0.451593D+02  0.424422D+02  0.215013D+02
      5   0.124371D+02  0.199835D+02  0.221579D+02  0.221512D+02  0.210819D+02
      6   0.320190D+01  0.293994D+01  0.696913D+01  0.734766D+01  0.667042D+01
               241           242           243           244           245 
      1   0.358154D+02  0.116874D+02  0.201038D+02  0.218449D+01  0.376414D+01
      2  -0.192140D+02 -0.559464D+01 -0.132430D+02 -0.359337D+01 -0.199063D+01
      3  -0.166014D+02 -0.609272D+01 -0.686083D+01  0.140888D+01 -0.177351D+01
      4   0.191893D+02  0.238722D+02  0.157989D+02  0.623316D+01  0.709579D+01
      5   0.317750D+02  0.162843D+02  0.202503D+02 -0.105019D+02 -0.260865D+01
      6   0.579356D+01  0.672445D+01  0.589977D+01 -0.434977D+01 -0.555498D+00
               246           247           248           249           250 
      1  -0.607688D+01  0.446553D+01 -0.546881D-01  0.203900D+01 -0.847616D+01
      2   0.446329D+01 -0.205491D+01  0.129127D+01 -0.148181D+01  0.749961D+01
      3   0.161359D+01 -0.241062D+01 -0.123658D+01 -0.557185D+00  0.976546D+00
      4  -0.347748D+01  0.106271D+02  0.704007D+01 -0.742748D+01 -0.606845D+01
      5   0.116620D+02 -0.363459D+01 -0.762369D+01  0.111037D+02  0.161598D+02
      6   0.247161D+01 -0.207167D+01 -0.599324D+01  0.805474D+01  0.423752D+01
               251           252           253           254           255 
      1   0.232902D+01 -0.432943D+01 -0.825963D+02 -0.846808D+01  0.679107D+01
      2   0.564182D+00 -0.915203D+01  0.410038D+02  0.124678D+02 -0.491991D+01
      3  -0.289320D+01  0.134815D+02  0.415925D+02 -0.399971D+01 -0.187116D+01
      4  -0.109677D+02  0.110724D+02 -0.126992D+02  0.251329D+02  0.109087D+02
      5   0.985871D+01 -0.348144D+02  0.106698D+02  0.799694D+01  0.146572D+02
      6   0.768800D+01 -0.127658D+02  0.844124D+01  0.646510D+01  0.538940D+01
               256           257           258           259           260 
      1   0.111838D+02  0.359451D+02  0.308766D+01  0.278885D+02  0.332681D+01
      2  -0.143649D+01 -0.385776D+02 -0.721383D+01 -0.120604D+02 -0.307402D+01
      3  -0.974731D+01  0.263248D+01  0.412617D+01 -0.158281D+02 -0.252798D+00
      4   0.284129D+02 -0.254033D+02  0.593820D+01  0.209173D+02  0.153723D+02
      5   0.124458D+02  0.866822D+01  0.189322D+02  0.208820D+02  0.207290D+02
      6   0.715484D+01 -0.381338D+01  0.647377D+01  0.911950D+01  0.880481D+01
               261           262           263           264           265 
      1   0.151208D+02  0.829092D+01 -0.934394D+01  0.278925D+01 -0.853324D+01
      2   0.603057D+01  0.135871D+01 -0.946450D+00 -0.205329D+00 -0.797528D+01
      3  -0.211514D+02 -0.964963D+01  0.102904D+02 -0.258392D+01  0.165085D+02
      4   0.240701D+02 -0.158570D+02  0.194091D+02 -0.430783D+01  0.312521D+02
      5  -0.176101D+02  0.560580D+01 -0.466471D+01  0.407951D+01 -0.814256D+01
      6  -0.240495D+01 -0.339593D+01  0.321177D+01 -0.159905D+01  0.607688D+01
               266           267           268           269           270 
      1  -0.237453D+01  0.230216D-01  0.370623D+00  0.117973D+01 -0.472935D+00
      2   0.318784D+02 -0.519248D+01 -0.208968D+01  0.346699D+01  0.130363D+01
      3  -0.295039D+02  0.516945D+01  0.171906D+01 -0.464672D+01 -0.830699D+00
      4  -0.639144D+02  0.131919D+02  0.204290D+01 -0.408777D+01 -0.443823D+01
      5   0.142288D+02 -0.112852D+02  0.328198D+01 -0.448613D+01  0.453550D+01
      6  -0.138960D+02  0.775040D+01 -0.194746D+01  0.460506D+01 -0.286880D+01
               271           272           273           274           275 
      1   0.609273D+01  0.289560D-01  0.517480D+01 -0.676663D+01 -0.576141D+01
      2  -0.545733D+01 -0.108340D+01 -0.185065D+01  0.346307D+01  0.282603D+01
      3  -0.635407D+00  0.105444D+01 -0.332415D+01  0.330357D+01  0.293539D+01
      4  -0.922160D+00 -0.331919D+01 -0.481633D+00 -0.325791D+01 -0.211386D+01
      5   0.273372D+01 -0.172060D+01 -0.410888D+00 -0.457844D+01  0.335258D+01
      6  -0.516110D+00 -0.160174D+01 -0.127101D+01 -0.980918D+00 -0.318607D+00
               276           277           278           279           280 
      1  -0.224457D+00  0.109319D+02 -0.141869D+00 -0.115758D+02  0.129108D+03
      2   0.494734D+01 -0.720506D+01  0.459884D+01 -0.157726D+02 -0.609374D+02
      3  -0.472288D+01 -0.372683D+01 -0.445697D+01  0.273484D+02 -0.681708D+02
      4   0.364857D+01  0.476911D+01  0.936172D+01 -0.374051D+01  0.436277D+02
      5  -0.100404D+02  0.102681D+02 -0.277315D+01  0.434605D+02  0.113676D+02
      6   0.736503D+00  0.156131D+01  0.367842D+01  0.124868D+02 -0.563925D-01
               281           282           283           284           285 
      1   0.115426D+02 -0.494300D+00 -0.400953D+01  0.664028D+01 -0.305338D+00
      2  -0.188414D+01 -0.759984D+00  0.468550D+01  0.838990D-01  0.627299D+00
      3  -0.965847D+01  0.125428D+01 -0.675976D+00 -0.672418D+01 -0.321961D+00
      4   0.190672D+02  0.125662D+01  0.128073D+02  0.660345D+01 -0.894998D+00
      5   0.187715D+01  0.135439D+02 -0.105707D+01 -0.597328D+00 -0.197472D+01
      6   0.191702D+01  0.388326D+01  0.526764D+00  0.620766D+00  0.287170D+00
               286           287           288           289           290 
      1  -0.160545D+02 -0.177714D+01  0.854081D+01  0.105931D+01  0.137388D+02
      2   0.645860D+01 -0.350637D-01 -0.635315D+01  0.247263D+01 -0.140204D+02
      3   0.959589D+01  0.181220D+01 -0.218767D+01 -0.353194D+01  0.281658D+00
      4  -0.695181D+01 -0.454850D+01  0.135252D+01  0.392793D+01 -0.718041D+01
      5   0.117976D+02 -0.398976D+00 -0.402421D+00 -0.172204D+01 -0.640691D+00
      6   0.315803D+01  0.706157D+00 -0.474547D+00 -0.735702D-01 -0.292036D+01
               291           292           293           294           295 
      1   0.468380D+00  0.120663D+02 -0.324570D+02 -0.320175D+01 -0.381975D+01
      2  -0.373185D+00 -0.467203D+01  0.535224D+02  0.329085D+01  0.983089D+00
      3  -0.951943D-01 -0.739430D+01 -0.210654D+02 -0.890992D-01  0.283666D+01
      4  -0.224626D+01  0.109493D+02  0.588074D+02  0.638842D+01 -0.304132D+01
      5  -0.278816D+01  0.308353D+01  0.378883D+01  0.725565D+01 -0.128335D+00
      6  -0.250484D+01  0.477794D+00  0.119711D+02  0.782089D+01 -0.438350D+00
               296           297 
      1  -0.852994D+00 -0.559072D+01
      2  -0.157734D+01  0.384657D+01
      3   0.243033D+01  0.174416D+01
      4  -0.393945D+01  0.334404D+01
      5   0.421006D+01  0.228535D+01
      6   0.646153D+01  0.132035D+01
 Leave Link  716 at Wed Sep  8 16:54:05 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220454D+03 -0.203962D+01 -0.445855D+00
      2  -0.203962D+01  0.138323D+03 -0.683302D+01
      3  -0.445855D+00 -0.683302D+01  0.151998D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.171473D+01 -0.714299D+01  0.227646D+02
      2   0.105998D+02 -0.793457D+01  0.320918D+02
      3  -0.107099D+03 -0.450655D+02  0.105107D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.259266D+03  0.448242D+02  0.352359D+01
      2  -0.135268D+03 -0.267250D+02  0.206014D+02
      3  -0.123998D+03 -0.180993D+02 -0.241250D+02
      4  -0.340626D+02  0.789065D+02 -0.246801D+02
      5  -0.143695D+01 -0.265297D+02  0.633324D+02
      6  -0.126017D+02  0.136061D+02 -0.339323D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.126627D+02  0.252351D+00  0.947805D+00  0.573942D+01  0.205698D+01
      2   0.252351D+00  0.113497D+01  0.137761D+00  0.205698D+01  0.198573D+01
      3   0.947805D+00  0.137761D+00  0.183948D+01 -0.145583D+00 -0.288254D+01
                 6             7             8             9            10 
      1  -0.145583D+00 -0.107629D+02  0.316514D+00 -0.322786D+00  0.305355D+02
      2  -0.288254D+01  0.316514D+00 -0.142735D+01 -0.109439D+01  0.149931D+01
      3  -0.214740D+01 -0.322786D+00 -0.109439D+01 -0.193709D+01 -0.102315D+01
                11            12            13            14            15 
      1   0.149931D+01 -0.102315D+01 -0.610643D+00  0.475769D+01  0.125396D+01
      2   0.203956D+01 -0.660189D+00  0.475769D+01 -0.801605D+00 -0.141694D+00
      3  -0.660189D+00  0.295785D+01  0.125396D+01 -0.141694D+00 -0.690179D+00
                16            17            18            19            20 
      1  -0.271421D+01  0.115822D+01  0.112773D+01  0.100912D+02 -0.651210D+00
      2   0.115822D+01  0.438864D+00 -0.813377D+00 -0.651210D+00 -0.963506D+00
      3   0.112773D+01 -0.813377D+00 -0.643265D+00 -0.900990D+00 -0.375315D+00
                21            22            23            24            25 
      1  -0.900990D+00  0.402139D+01 -0.127246D+01 -0.102209D+01 -0.133774D+02
      2  -0.375315D+00 -0.127246D+01  0.220965D+01 -0.234849D+01  0.158518D+00
      3  -0.334454D+01 -0.102209D+01 -0.234849D+01 -0.142426D+01  0.674526D+00
                26            27            28            29            30 
      1   0.158518D+00  0.674526D+00 -0.283877D+02  0.101230D+00  0.823136D+00
      2  -0.107400D+01 -0.818220D+00  0.101230D+00 -0.173701D+01  0.276708D+00
      3  -0.818220D+00 -0.162391D+01  0.823136D+00  0.276708D+00 -0.284438D+01
                31            32            33            34            35 
      1   0.207858D+01 -0.486629D+01 -0.157410D+01  0.269793D+01 -0.138256D+01
      2  -0.486629D+01  0.409636D+00  0.431818D+00 -0.138256D+01 -0.585542D-01
      3  -0.157410D+01  0.431818D+00 -0.223844D-01 -0.688746D+00 -0.960690D+00
                36            37            38            39            40 
      1  -0.688746D+00  0.131711D+02 -0.321921D+00 -0.104004D+01 -0.373181D+01
      2  -0.960690D+00 -0.321921D+00 -0.255754D+01  0.144890D+01 -0.158000D+01
      3   0.419360D+00 -0.104004D+01  0.144890D+01 -0.217133D+01 -0.322623D+00
                41            42            43            44            45 
      1  -0.158000D+01 -0.322623D+00  0.114426D+02 -0.161200D+01  0.168102D+00
      2  -0.282818D+01  0.257693D+01 -0.161200D+01  0.127393D+01  0.132440D+01
      3   0.257693D+01  0.181316D+01  0.168102D+00  0.132440D+01  0.187836D+01
                46            47            48            49            50 
      1  -0.961319D+01  0.254641D+00  0.711634D+00 -0.297401D+01  0.109588D+01
      2   0.254641D+00  0.223166D+01 -0.941134D+00  0.109588D+01 -0.339091D+01
      3   0.711634D+00 -0.941134D+00  0.326524D+01  0.137921D+01  0.223874D+01
                51            52            53            54            55 
      1   0.137921D+01  0.128357D+02  0.139857D+01 -0.100388D+01 -0.147249D+02
      2   0.223874D+01  0.139857D+01  0.204871D-01  0.146326D+01 -0.210589D+01
      3   0.120233D+01 -0.100388D+01  0.146326D+01  0.101403D+01 -0.445794D+00
                56            57            58            59            60 
      1  -0.210589D+01 -0.445794D+00 -0.573730D+01 -0.718826D+01 -0.515131D+00
      2  -0.348002D+01 -0.131525D+00 -0.718826D+01  0.225235D+01 -0.178770D+01
      3  -0.131525D+00 -0.145443D+01 -0.515131D+00 -0.178770D+01  0.202199D-01
                61            62            63            64            65 
      1  -0.574868D+01 -0.130123D+01 -0.311363D+01 -0.144420D+01  0.292418D+01
      2  -0.130123D+01 -0.314850D+01  0.643115D+00  0.292418D+01  0.388812D+01
      3  -0.311363D+01  0.643115D+00  0.519327D+01 -0.106211D+00  0.380250D+00
                66            67            68            69            70 
      1  -0.106211D+00  0.108327D+02  0.650606D+01  0.789122D+00  0.549914D+01
      2   0.380250D+00  0.650606D+01 -0.169106D+01  0.229463D+01  0.133129D+01
      3   0.250530D+01  0.789122D+00  0.229463D+01  0.451415D+00  0.378511D+01
                71            72            73            74            75 
      1   0.133129D+01  0.378511D+01  0.610388D+01 -0.235326D+01 -0.102723D+01
      2   0.328748D+01  0.505956D+00 -0.235326D+01 -0.350458D+01 -0.659310D+00
      3   0.505956D+00 -0.701368D+01 -0.102723D+01 -0.659310D+00 -0.194466D+01
                76            77            78            79            80 
      1  -0.350813D+01 -0.391071D+01 -0.884347D+00 -0.205005D+01 -0.887460D+00
      2  -0.391071D+01 -0.908266D-01 -0.297673D+01 -0.887460D+00 -0.409600D+01
      3  -0.884347D+00 -0.297673D+01 -0.972131D+00 -0.270263D+01 -0.181888D+01
                81            82            83            84            85 
      1  -0.270263D+01  0.602476D+01 -0.171338D+01 -0.360150D+00 -0.365085D+01
      2  -0.181888D+01 -0.171338D+01 -0.342726D+01 -0.548351D+00 -0.548152D+01
      3   0.531391D+01 -0.360150D+00 -0.548351D+00 -0.286487D+01 -0.839691D+00
                86            87            88            89            90 
      1  -0.548152D+01 -0.839691D+00 -0.171591D+01 -0.893932D+00 -0.453874D+01
      2   0.198364D+01 -0.384301D+01 -0.893932D+00 -0.393636D+01 -0.240176D+00
      3  -0.384301D+01 -0.375502D+00 -0.453874D+01 -0.240176D+00  0.445130D+01
                91            92            93            94            95 
      1   0.513415D+01  0.176811D+01  0.187670D+01 -0.280210D+01  0.563528D+01
      2   0.176811D+01  0.192071D+01  0.427438D+00  0.563528D+01 -0.339380D+01
      3   0.187670D+01  0.427438D+00  0.156352D+01  0.149769D+01  0.610710D+00
                96            97            98            99           100 
      1   0.149769D+01  0.305241D+01  0.212311D+01  0.244686D+01  0.664617D+00
      2   0.610710D+00  0.212311D+01  0.640307D+00  0.273212D+01 -0.112912D+01
      3   0.232776D+01  0.244686D+01  0.273212D+01 -0.298087D+01 -0.159624D+01
               101           102           103           104           105 
      1  -0.112912D+01 -0.159624D+01 -0.231537D+00 -0.758616D+00  0.126359D+01
      2  -0.126360D+00  0.796414D+00 -0.758616D+00  0.281906D+01 -0.165185D+01
      3   0.796414D+00  0.596510D+00  0.126359D+01 -0.165185D+01 -0.289760D+01
               106           107           108           109           110 
      1  -0.386496D+01  0.169123D+01  0.141421D+01 -0.267981D+01  0.187858D+01
      2   0.169123D+01 -0.351798D+01 -0.344112D+01  0.187858D+01 -0.905619D+00
      3   0.141421D+01 -0.344112D+01 -0.218727D+01  0.332041D+01 -0.810139D+00
               111           112           113           114           115 
      1   0.332041D+01  0.307622D+01 -0.280486D+01 -0.174368D+01  0.636284D+01
      2  -0.810139D+00 -0.280486D+01  0.457645D+01  0.380512D+01 -0.288666D+01
      3  -0.147942D+01 -0.174368D+01  0.380512D+01  0.336328D+01 -0.335886D+01
               116           117           118           119           120 
      1  -0.288666D+01 -0.335886D+01  0.587615D+00 -0.706472D+00 -0.140362D+01
      2   0.475427D+01  0.407410D+01 -0.706472D+00  0.211838D+01 -0.163189D+00
      3   0.407410D+01  0.887012D+01 -0.140362D+01 -0.163189D+00 -0.121985D+00
               121           122           123           124           125 
      1  -0.177219D+01  0.334084D+01 -0.397039D+00 -0.381320D+01  0.971519D+00
      2   0.334084D+01 -0.675822D+01 -0.225008D+00  0.971519D+00 -0.156650D+01
      3  -0.397039D+00 -0.225008D+00 -0.144932D+00 -0.105887D+01  0.144146D+01
               126           127           128           129           130 
      1  -0.105887D+01  0.203387D+01  0.625663D+00 -0.202759D+01  0.228483D+00
      2   0.144146D+01  0.625663D+00  0.293894D+00 -0.426051D+00  0.144764D+00
      3  -0.405356D+01 -0.202759D+01 -0.426051D+00  0.218199D+01 -0.663599D+00
               131           132           133           134           135 
      1   0.144764D+00 -0.663599D+00 -0.233136D+01 -0.853545D+00  0.268208D+01
      2   0.334014D+00 -0.538651D+00 -0.853545D+00 -0.116324D+01  0.162997D+01
      3  -0.538651D+00  0.212768D+01  0.268208D+01  0.162997D+01 -0.704284D+01
               136           137           138           139           140 
      1  -0.465996D+01  0.170119D+01 -0.203780D+01  0.259222D+01 -0.132875D+01
      2   0.170119D+01 -0.123031D+01  0.524286D+00 -0.132875D+01  0.112308D+01
      3  -0.203780D+01  0.524286D+00 -0.183027D+01  0.106757D+01 -0.517990D+00
               141           142           143           144           145 
      1   0.106757D+01 -0.217839D+01  0.538501D+00 -0.267664D+01 -0.208162D+01
      2  -0.517990D+00  0.538501D+00 -0.878556D+00  0.142011D+01 -0.680782D+00
      3   0.185774D+01 -0.267664D+01  0.142011D+01 -0.469685D+01  0.203666D+01
               146           147           148           149           150 
      1  -0.680782D+00  0.203666D+01 -0.491621D+00 -0.174444D+00  0.729845D+00
      2  -0.382716D+00  0.684193D+00 -0.174444D+00 -0.519337D+00  0.751856D+00
      3   0.684193D+00 -0.218143D+01  0.729845D+00  0.751856D+00 -0.221432D+01
               151           152           153           154           155 
      1   0.207514D+01  0.100089D+01 -0.263632D+01  0.355594D+01 -0.106664D+01
      2   0.100089D+01  0.158996D+01 -0.233317D+01 -0.106664D+01  0.860157D+00
      3  -0.263632D+01 -0.233317D+01  0.706809D+01  0.251424D+01 -0.107410D+01
               156           157           158           159           160 
      1   0.251424D+01 -0.170451D+01  0.621480D+00 -0.128548D+01  0.267240D+01
      2  -0.107410D+01  0.621480D+00 -0.753978D+00  0.836624D+00 -0.122150D+01
      3   0.231725D+01 -0.128548D+01  0.836624D+00 -0.205655D+01  0.292451D+01
               161           162           163           164           165 
      1  -0.122150D+01  0.292451D+01  0.120113D+01 -0.614187D-01 -0.148455D+01
      2   0.158781D+01 -0.208373D+01 -0.614187D-01  0.745915D+00  0.303831D+00
      3  -0.208373D+01  0.511674D+01 -0.148455D+01  0.303831D+00  0.139541D+01
               166           167           168           169           170 
      1   0.161923D+01  0.116740D+01 -0.719703D-01 -0.374940D+01  0.144166D+00
      2   0.116740D+01 -0.356288D+00 -0.634010D+00  0.144166D+00 -0.116659D+01
      3  -0.719703D-01 -0.634010D+00  0.125790D+00  0.242135D+01 -0.119652D+01
               171           172           173           174           175 
      1   0.242135D+01  0.404755D+01 -0.183984D+01  0.670390D+00 -0.412910D+01
      2  -0.119652D+01 -0.183984D+01  0.230053D+01 -0.864485D-01  0.338465D+01
      3  -0.608483D+01  0.670390D+00 -0.864485D-01  0.386797D+00 -0.254749D+00
               176           177           178           179           180 
      1   0.338465D+01 -0.254749D+00  0.486210D+01 -0.454990D+00  0.108447D+01
      2  -0.638719D+01  0.902318D+00 -0.454990D+00  0.213616D+01 -0.105654D+01
      3   0.902318D+00 -0.782055D+00  0.108447D+01 -0.105654D+01  0.338853D+00
               181           182           183           184           185 
      1  -0.627209D+00 -0.710246D+00  0.122453D+01 -0.150996D+01 -0.838570D+00
      2  -0.710246D+00 -0.833391D+00 -0.546490D-01 -0.838570D+00  0.187228D+00
      3   0.122453D+01 -0.546490D-01 -0.102892D+01  0.862154D-01  0.625164D+00
               186           187           188           189           190 
      1   0.862154D-01  0.222195D+01  0.145645D+00 -0.650958D+00 -0.867492D+01
      2   0.625164D+00  0.145645D+00  0.103162D+01  0.715213D-02  0.563060D+00
      3  -0.141961D-01 -0.650958D+00  0.715213D-02  0.704108D+01  0.376936D+00
               191           192           193           194           195 
      1   0.563060D+00  0.376936D+00  0.139368D+00 -0.141245D+01  0.677957D-01
      2  -0.233020D+01  0.101110D+00 -0.141245D+01  0.604794D+00  0.308209D+00
      3   0.101110D+00 -0.661550D+00  0.677957D-01  0.308209D+00  0.385127D+00
               196           197           198           199           200 
      1   0.433463D+00 -0.119561D+00 -0.294441D+00  0.426941D+00  0.605860D+00
      2  -0.119561D+00  0.576588D+00  0.541122D+00  0.605860D+00  0.929595D+00
      3  -0.294441D+00  0.541122D+00 -0.311736D+00 -0.101534D+01 -0.313326D+00
               201           202           203           204           205 
      1  -0.101534D+01  0.268424D+00  0.558657D+00 -0.633624D-01 -0.183057D+01
      2  -0.313326D+00  0.558657D+00  0.740747D+00 -0.632120D+00 -0.551258D+00
      3   0.141361D+01 -0.633624D-01 -0.632120D+00  0.487671D+00  0.151004D+01
               206           207           208           209           210 
      1  -0.551258D+00  0.151004D+01  0.225185D+01  0.256168D+01  0.878972D+00
      2  -0.195712D+01  0.186507D+01  0.256168D+01  0.335664D+01  0.719339D+00
      3   0.186507D+01 -0.664588D+01  0.878972D+00  0.719339D+00  0.963508D+00
               211           212           213           214           215 
      1   0.232697D+01  0.324524D+01  0.836433D+00  0.183690D+01  0.150439D+01
      2   0.324524D+01  0.685130D+01  0.190674D+01  0.150439D+01  0.347464D+01
      3   0.836433D+00  0.190674D+01  0.135431D+01  0.122329D+01  0.181834D+01
               216           217           218           219           220 
      1   0.122329D+01  0.193303D+01  0.113663D+00 -0.151075D+01  0.364780D+00
      2   0.181834D+01  0.113663D+00  0.632199D+00  0.662022D-01  0.112630D+01
      3   0.107722D+01 -0.151075D+01  0.662022D-01  0.167111D+01  0.278938D-02
               221           222           223           224           225 
      1   0.112630D+01  0.278938D-02 -0.454094D+01  0.106127D+00  0.335656D+01
      2  -0.153064D+00 -0.393091D+00  0.106127D+00 -0.969236D+00 -0.506245D-01
      3  -0.393091D+00  0.984965D-01  0.335656D+01 -0.506245D-01 -0.597576D+01
               226           227           228           229           230 
      1   0.183417D+01 -0.163018D+01  0.843803D+00 -0.395335D+01  0.329999D+01
      2  -0.163018D+01  0.172338D+01 -0.528944D+00  0.329999D+01 -0.564299D+01
      3   0.843803D+00 -0.528944D+00  0.865107D+00 -0.109383D+01  0.200670D+01
               231           232           233           234           235 
      1  -0.109383D+01  0.200411D+01 -0.972281D+00  0.164492D+01  0.457473D+01
      2   0.200670D+01 -0.972281D+00  0.223924D+01 -0.131371D+01  0.239371D+01
      3  -0.161605D+01  0.164492D+01 -0.131371D+01  0.116354D+01  0.167741D+01
               236           237           238           239           240 
      1   0.239371D+01  0.167741D+01  0.561953D+01  0.355901D+01  0.164794D+01
      2   0.197533D+01  0.922967D+00  0.355901D+01  0.354498D+01  0.183755D+01
      3   0.922967D+00  0.137098D+01  0.164794D+01  0.183755D+01  0.166137D+01
               241           242           243           244           245 
      1   0.362326D+01  0.151113D+01  0.244065D+01  0.735219D-01 -0.816960D+00
      2   0.151113D+01  0.204018D+01  0.134591D+01 -0.816960D+00 -0.665952D+00
      3   0.244065D+01  0.134591D+01  0.161385D+01  0.117581D+01  0.217427D+00
               246           247           248           249           250 
      1   0.117581D+01 -0.122443D+01 -0.116570D+01  0.370220D+00  0.265543D+01
      2   0.217427D+00 -0.116570D+01 -0.968765D+00  0.114613D+01  0.408716D+00
      3  -0.108087D+01  0.370220D+00  0.114613D+01 -0.155573D+01 -0.179726D+01
               251           252           253           254           255 
      1   0.408716D+00 -0.179726D+01  0.778708D+01 -0.829070D+00 -0.201536D+01
      2   0.153298D+01 -0.138977D+01 -0.829070D+00 -0.330262D+01 -0.110886D+01
      3  -0.138977D+01  0.508181D+01 -0.201536D+01 -0.110886D+01 -0.162612D+01
               256           257           258           259           260 
      1  -0.374806D+01 -0.299074D+01 -0.140362D+01 -0.646777D+01 -0.161897D+01
      2  -0.299074D+01  0.486075D+01 -0.447049D+00 -0.161897D+01 -0.187042D+01
      3  -0.140362D+01 -0.447049D+00 -0.252268D+01 -0.213064D+01 -0.256764D+01
               261           262           263           264           265 
      1  -0.213064D+01 -0.129711D+01  0.157065D+01 -0.628694D+00  0.261854D+01
      2  -0.256764D+01  0.157065D+01 -0.181182D+01  0.462819D+00 -0.360691D+01
      3   0.256615D+01 -0.628694D+00  0.462819D+00 -0.485214D+00  0.876686D+00
               266           267           268           269           270 
      1  -0.360691D+01  0.876686D+00 -0.674764D-01 -0.245018D+00 -0.341470D+00
      2   0.880062D+01 -0.179403D+01 -0.245018D+00  0.440067D+00  0.621508D+00
      3  -0.179403D+01  0.159726D+01 -0.341470D+00  0.621508D+00 -0.677657D+00
               271           272           273           274           275 
      1  -0.335533D+00  0.373413D+00 -0.375987D+00  0.136543D+01  0.324055D+00
      2   0.373413D+00  0.499844D+00  0.221588D+00  0.324055D+00  0.155529D+00
      3  -0.375987D+00  0.221588D+00  0.429326D+00  0.400464D+00 -0.581501D+00
               276           277           278           279           280 
      1   0.400464D+00 -0.190532D+01 -0.212142D+00 -0.706612D+00 -0.148436D+02
      2  -0.581501D+00 -0.212142D+00 -0.125987D+01  0.357227D+00 -0.180672D+01
      3   0.131972D+01 -0.706612D+00  0.357227D+00 -0.601470D+01 -0.297535D+00
               281           282           283           284           285 
      1  -0.180672D+01 -0.297535D+00  0.575421D+00 -0.107052D+01  0.133951D+00
      2  -0.136849D+01 -0.181501D+00 -0.107052D+01 -0.608134D+00  0.806652D-01
      3  -0.181501D+00 -0.106806D+01  0.133951D+00  0.806652D-01  0.322774D+00
               286           287           288           289           290 
      1   0.197633D+01  0.425713D+00 -0.100599D+01 -0.267367D-03 -0.764184D+00
      2   0.425713D+00  0.518787D+00  0.875549D-01 -0.764184D+00  0.197650D+01
      3  -0.100599D+01  0.875549D-01  0.634273D-01  0.218586D+00  0.371799D+00
               291           292           293           294           295 
      1   0.218586D+00 -0.168712D+01 -0.373474D+00 -0.122578D+00  0.866878D+00
      2   0.371799D+00 -0.373474D+00 -0.909520D+01 -0.964437D+00  0.278843D+00
      3   0.465063D+00 -0.122578D+00 -0.964437D+00 -0.108014D+01  0.124063D+00
               296           297 
      1   0.278843D+00  0.124063D+00
      2   0.506867D+00 -0.699794D+00
      3  -0.699794D+00 -0.381197D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.410697D+00 -0.210625D+01  0.963951D+00 -0.692549D+01 -0.254958D+01
      2   0.350511D+01 -0.246475D+01  0.949361D+01 -0.252741D+01  0.174471D+01
      3   0.183313D+02 -0.237678D+01  0.297297D+01  0.773452D+01 -0.149330D+01
                 6             7             8             9            10 
      1  -0.206127D+01 -0.205635D+01  0.224946D+01 -0.402153D+00 -0.146630D+00
      2  -0.334400D+01 -0.452363D+01 -0.135260D+01  0.284414D+01  0.109232D+01
      3   0.228131D+01  0.148034D+02  0.470387D+00  0.309004D+01 -0.314055D+02
                11            12            13            14            15 
      1  -0.211445D-01  0.207516D+01  0.176543D+01  0.442119D+01 -0.879628D+01
      2   0.743659D+00 -0.396018D+01  0.502951D+01  0.361825D+00  0.560473D+00
      3  -0.918094D+00  0.670428D+00  0.109576D+02 -0.189077D+01 -0.346155D+00
                16            17            18            19            20 
      1  -0.264171D+01 -0.234809D+01 -0.433672D+01  0.123410D+01  0.108089D+01
      2  -0.253470D+02 -0.168109D+01 -0.311017D+01 -0.413020D+01 -0.196881D+01
      3  -0.226715D+01 -0.818159D+00 -0.220747D+01 -0.128042D+02 -0.424438D+00
                21            22            23            24            25 
      1  -0.167187D+01  0.493319D+01 -0.138189D+01 -0.333163D+01  0.332430D+01
      2   0.309826D+01 -0.521320D+01 -0.134311D+01  0.121381D+01 -0.127458D+01
      3   0.266186D+01  0.708453D+01  0.139167D+01 -0.290111D+01  0.184307D+02
                26            27            28            29            30 
      1   0.235346D+01 -0.167656D+01 -0.809635D+00  0.140157D+01 -0.218114D+01
      2   0.774858D+00 -0.149782D+01  0.349134D+01  0.905209D+00 -0.306853D+01
      3  -0.192321D+01 -0.456117D+01  0.303263D+02 -0.258712D+00 -0.209329D+01
                31            32            33            34            35 
      1  -0.650310D+00  0.412937D+01 -0.953732D+01 -0.454147D+01 -0.170484D+01
      2   0.432190D+01  0.796916D-01  0.231914D+01 -0.264938D+02  0.418004D+01
      3   0.853091D+01  0.480889D+01  0.107935D+01 -0.708174D+01 -0.846051D+00
                36            37            38            39            40 
      1  -0.333465D+01 -0.761598D+00 -0.115442D+01 -0.217644D+01 -0.559101D+01
      2   0.749224D-02  0.158144D+01 -0.264547D+01  0.829560D+01 -0.272719D+01
      3   0.141894D+01 -0.144196D+02 -0.960638D+00  0.307828D+01  0.149022D+02
                41            42            43            44            45 
      1   0.136470D+01  0.639316D+00 -0.943747D+00  0.351673D+01  0.239010D+01
      2   0.163857D+01 -0.185808D+01 -0.657398D+01 -0.108837D+01  0.184400D+01
      3  -0.118700D+01  0.276486D+01 -0.107173D+02  0.326234D+01  0.223500D+01
                46            47            48            49            50 
      1   0.196672D+00  0.131413D+01  0.338796D+01  0.813610D+01  0.151857D+01
      2  -0.277866D+01 -0.195130D+01  0.382399D+01 -0.398317D+01 -0.173350D+01
      3   0.133725D+02 -0.134767D+01 -0.110144D+01  0.141552D+02  0.152244D+01
                51            52            53            54            55 
      1  -0.237543D+01  0.282387D+01  0.377565D+01  0.718643D+00 -0.197226D+01
      2   0.106116D+01 -0.142790D+01  0.150909D+01 -0.186215D+01 -0.413379D+01
      3  -0.433172D+01 -0.109631D+02 -0.190601D+01 -0.108315D+01  0.159595D+02
                56            57            58            59            60 
      1  -0.217704D+00 -0.637031D+00 -0.529912D+00 -0.543236D+01 -0.852083D+00
      2   0.377587D+00 -0.113329D+01 -0.164309D+01 -0.107939D+02  0.154963D+01
      3   0.994020D+01  0.508771D+00  0.352898D+02  0.264311D+00  0.660643D+01
                61            62            63            64            65 
      1  -0.138313D+00  0.386656D+01  0.434652D+01  0.226164D+01  0.116951D+01
      2  -0.208632D+02  0.638538D+00  0.200686D+02  0.419759D+01  0.142646D+01
      3   0.965389D+01  0.115772D+02  0.155890D+01 -0.196174D+02 -0.198926D+02
                66            67            68            69            70 
      1  -0.167683D+01 -0.125443D+00 -0.178093D+01 -0.169752D+01  0.522347D+00
      2   0.128973D+02  0.480921D+01  0.109137D+02 -0.536192D-01  0.123799D+02
      3  -0.178744D+01 -0.259617D+02  0.613171D+01 -0.941121D+01 -0.102938D+02
                71            72            73            74            75 
      1   0.479332D+01  0.426857D+01  0.175950D+01  0.208695D+01  0.484440D+01
      2   0.287286D+01 -0.323119D+02 -0.573883D+00 -0.395659D+01 -0.503562D+01
      3  -0.138449D+02 -0.204586D+01  0.250861D+02  0.412660D+01  0.871981D+00
                76            77            78            79            80 
      1   0.284934D+01  0.935849D+01  0.156759D+01  0.660584D+01  0.774573D+01
      2  -0.505444D+01 -0.110067D+02 -0.356065D+01 -0.115856D+02 -0.626698D+01
      3   0.102803D+02 -0.715121D+01  0.890395D+01  0.146054D+01  0.123287D+02
                81            82            83            84            85 
      1  -0.115553D+02 -0.405893D+00 -0.465347D+00  0.335794D+00 -0.480886D+00
      2   0.179624D+02 -0.524431D+01 -0.234438D+01 -0.151005D+02 -0.377338D+01
      3   0.243856D+01  0.893214D+01  0.180429D+02  0.293397D+01  0.361123D+02
                86            87            88            89            90 
      1   0.133442D+01 -0.242436D+01  0.738236D+00  0.610610D+00 -0.126011D+01
      2  -0.212516D+02 -0.477849D+00 -0.299819D+02 -0.105927D+01  0.261455D+02
      3  -0.123382D+02  0.222240D+02  0.461890D+01  0.220545D+02  0.135122D+01
                91            92            93            94            95 
      1   0.202018D+01 -0.105102D+01  0.159177D+01  0.709585D+00 -0.155479D+01
      2  -0.105568D+02 -0.358673D-01 -0.193446D+01 -0.103867D+01 -0.438192D+01
      3  -0.427965D+01  0.112703D+01 -0.534974D+00  0.333412D+02 -0.159986D+02
                96            97            98            99           100 
      1  -0.201734D+01  0.127470D+01  0.539183D+01  0.181747D+00  0.117453D+01
      2  -0.101286D+02 -0.167022D+02 -0.984219D+01  0.106210D+02  0.542360D+01
      3  -0.888916D+00  0.253940D+01 -0.751301D+00  0.696872D+01  0.138941D+02
               101           102           103           104           105 
      1   0.183850D+01 -0.380552D+01  0.807857D+00 -0.146234D+01  0.146624D+01
      2  -0.382312D+01  0.715277D+01 -0.200761D+01  0.519016D+01  0.175749D+02
      3  -0.154598D+02  0.184337D+01 -0.682702D+01  0.744539D+00 -0.401678D+01
               106           107           108           109           110 
      1  -0.361468D+01 -0.153342D+01  0.431374D+01 -0.319597D+01 -0.234343D+01
      2  -0.223014D+01  0.135697D+02  0.935714D+01 -0.877517D+01  0.233161D+01
      3   0.100385D+02 -0.122134D+02 -0.104481D+02 -0.651545D-01 -0.921495D+00
               111           112           113           114           115 
      1   0.215676D+01 -0.187756D+01  0.400887D+01 -0.626797D+01  0.713539D+00
      2   0.487739D+01 -0.116432D+01 -0.107876D+02 -0.142689D+02  0.259231D+01
      3  -0.466459D+00 -0.474902D+01  0.192262D+02  0.123667D+02 -0.114231D+02
               116           117           118           119           120 
      1   0.678659D+01 -0.993759D+01  0.405558D+01 -0.984138D+00  0.338880D+00
      2  -0.124652D+02 -0.317313D+02  0.572529D+01 -0.457564D+00  0.175727D+01
      3   0.177244D+02  0.124673D+02 -0.404222D+01  0.538559D+01 -0.280350D+01
               121           122           123           124           125 
      1  -0.173274D+01  0.467175D+01 -0.138525D+01 -0.143124D+01  0.638701D+01
      2   0.488353D+00  0.368047D+01 -0.861925D+00 -0.116364D+01 -0.408964D+01
      3   0.950995D+01 -0.190239D+02 -0.169570D+01  0.231453D+01 -0.600157D+01
               126           127           128           129           130 
      1   0.755580D+01 -0.192424D+01 -0.201791D+01  0.105465D+01 -0.261995D+00
      2   0.156565D+02  0.446636D+01  0.884923D+00 -0.923528D+00  0.490299D+00
      3   0.543973D+01 -0.315887D+00 -0.107712D+01  0.944524D+00  0.117191D+01
               131           132           133           134           135 
      1  -0.118334D+01 -0.293368D+00  0.275447D+01  0.530937D+01 -0.478688D+01
      2  -0.355449D-01  0.578495D+00 -0.473366D+01 -0.326077D+00 -0.178370D+01
      3  -0.495427D+00  0.446273D+00  0.106303D+01  0.221105D+01 -0.173363D+01
               136           137           138           139           140 
      1  -0.419143D+01  0.435338D+01 -0.632119D+00  0.318880D+01 -0.279108D+01
      2  -0.968621D+01  0.310767D+01 -0.127335D+01  0.422088D+01 -0.233264D+01
      3   0.132399D+01 -0.226549D+01  0.596452D+00 -0.363771D+00  0.184292D+01
               141           142           143           144           145 
      1  -0.722802D+00 -0.101209D+01  0.346617D+01 -0.283354D+01  0.185558D+01
      2  -0.151185D-01 -0.375153D+01 -0.393725D+00  0.912175D+00  0.429366D+01
      3  -0.108447D+00  0.199812D+00 -0.211013D+01  0.161476D+01  0.277501D+01
               146           147           148           149           150 
      1  -0.927137D+00 -0.222212D+01  0.103286D+01  0.657161D-01 -0.351154D+01
      2   0.439922D+00 -0.846325D+00  0.680045D+00 -0.104506D+00  0.655745D+00
      3  -0.115703D+00 -0.192334D+01  0.173895D+01 -0.321826D+00 -0.574676D+00
               151           152           153           154           155 
      1  -0.175365D+01  0.225787D+01  0.556046D+01  0.251051D+01  0.127244D+01
      2  -0.429207D+01 -0.314436D+00 -0.102371D+01 -0.520886D+01  0.173039D+00
      3  -0.240762D+01  0.104674D+01  0.172766D+01 -0.486743D+01 -0.820503D+00
               156           157           158           159           160 
      1   0.231563D+01 -0.144565D+01  0.164937D+00 -0.368769D+01  0.243434D+01
      2  -0.163044D+00  0.937339D+00  0.208963D+00 -0.910143D+00 -0.305486D+01
      3  -0.224886D+01  0.364699D+01  0.702453D+00  0.781452D+00 -0.298395D+01
               161           162           163           164           165 
      1   0.155905D+01  0.423601D+01 -0.130798D+01 -0.673773D+00  0.112199D+01
      2  -0.262067D+00  0.221881D+01 -0.507193D+01  0.675600D+00  0.561327D+01
      3  -0.133419D+01 -0.185673D+01 -0.170336D+01 -0.356967D+01  0.550762D+00
               166           167           168           169           170 
      1   0.839931D-01 -0.326175D+00 -0.995717D+00  0.219236D+01  0.220652D+01
      2   0.501639D+00 -0.103510D+01  0.770736D+00  0.229246D+01 -0.397338D+01
      3  -0.325858D+01  0.912450D-01  0.155844D+01  0.317597D+01  0.415973D+01
               171           172           173           174           175 
      1  -0.609422D+01  0.100199D+01 -0.923417D+00  0.141807D+01 -0.160057D+01
      2  -0.201415D+02  0.486090D+01 -0.147523D+01  0.334890D+01 -0.269116D+01
      3   0.368778D+00  0.119808D+01 -0.716823D+01 -0.207090D+00 -0.382293D+01
               176           177           178           179           180 
      1   0.329920D+01 -0.344706D+01  0.160918D+01 -0.112245D+01  0.119066D+01
      2   0.582367D+01 -0.375242D+01  0.356872D+01 -0.407741D+01  0.106448D+01
      3   0.174485D+02 -0.216653D+01 -0.342967D+01 -0.700276D+01  0.188225D+01
               181           182           183           184           185 
      1  -0.231093D+01 -0.150094D+01  0.876387D+00 -0.100308D+01 -0.357715D+00
      2   0.755657D+01  0.665842D+00 -0.466328D+01  0.190448D+01  0.328821D+01
      3   0.228433D+01  0.250759D+01  0.431472D+00  0.515490D+01 -0.771121D+00
               186           187           188           189           190 
      1  -0.656137D+00  0.147427D+01  0.349117D+01 -0.396639D+01  0.643734D+00
      2  -0.603297D+00 -0.851089D+01 -0.755625D+00  0.288768D+02 -0.203360D+01
      3  -0.242253D+01  0.103766D+00 -0.354376D+01 -0.499591D+00 -0.257408D+02
               191           192           193           194           195 
      1   0.562765D+00  0.228550D+01  0.266054D+00 -0.630199D+00 -0.113703D+01
      2   0.383262D+00 -0.229008D+00  0.261161D+00  0.637213D+00  0.238635D+00
      3   0.622969D+01  0.482820D+00  0.653077D+01 -0.374714D+01 -0.109736D+01
               196           197           198           199           200 
      1   0.218270D+01  0.571314D+00  0.751895D+00  0.216780D+01 -0.997852D-01
      2  -0.331842D+01  0.108937D+01 -0.107884D+01 -0.317896D+01 -0.114478D+01
      3   0.764968D+00 -0.213122D+01 -0.263380D+01 -0.214931D+01 -0.336987D+01
               201           202           203           204           205 
      1  -0.302076D+01  0.208745D+00  0.104840D+01 -0.214770D+01 -0.293619D+01
      2   0.516621D+01 -0.203126D+00 -0.176401D+01  0.104879D+01  0.754226D+00
      3  -0.290560D+00 -0.404929D+00 -0.136857D+01  0.175886D+01 -0.220242D+01
               206           207           208           209           210 
      1  -0.358750D-01  0.149091D+02 -0.249777D+01 -0.212084D+01 -0.383890D+01
      2   0.587440D+01 -0.222167D+02  0.330921D+01  0.302833D+01  0.467024D+01
      3   0.691388D+01 -0.472213D+01 -0.445617D+01 -0.910304D+01 -0.736422D+00
               211           212           213           214           215 
      1  -0.325076D+01 -0.546042D+01 -0.591049D+01 -0.331547D+01 -0.323587D+01
      2   0.303892D+01  0.735160D+01  0.591024D+01  0.336653D+01  0.659829D+01
      3  -0.318728D+01 -0.190105D+02 -0.485262D+01 -0.847458D+00 -0.103357D+02
               216           217           218           219           220 
      1  -0.341155D+01  0.329884D+00 -0.422967D+00 -0.114778D+00  0.182547D+00
      2   0.413487D+01 -0.902686D+01  0.274553D+00  0.111389D+02 -0.292160D-01
      3  -0.430782D+01 -0.487686D+00 -0.452988D+01 -0.423980D+00 -0.460364D+01
               221           222           223           224           225 
      1   0.553996D-01 -0.887311D+00 -0.723202D+00  0.254985D+01  0.114589D+01
      2  -0.211279D+01  0.449280D+00  0.158547D+02 -0.236916D+00 -0.353174D+02
      3   0.924613D+00  0.177240D+01 -0.853739D+00  0.636839D+01  0.868359D-01
               226           227           228           229           230 
      1  -0.794325D+00  0.829765D+00  0.403912D+00  0.102181D+01 -0.282657D+01
      2   0.415261D+01 -0.247624D+01  0.542595D+01 -0.404044D+01  0.106039D+02
      3   0.878411D+01 -0.108555D+02  0.304903D+01 -0.146033D+02  0.322135D+02
               231           232           233           234           235 
      1  -0.151631D+01 -0.386914D+00  0.204643D+01  0.123124D+00  0.381726D+00
      2  -0.997989D+01  0.673866D+01 -0.704828D+01  0.595327D+01  0.754544D+01
      3  -0.111966D+02  0.460138D+01 -0.130239D+02  0.695737D+01 -0.117502D+02
               236           237           238           239           240 
      1   0.902714D+00 -0.938841D+00  0.450618D+00  0.138212D+01 -0.161462D+01
      2   0.430877D+01  0.926217D+01  0.671066D+01  0.932537D+01  0.100912D+02
      3  -0.128947D+02 -0.495674D+01 -0.163258D+02 -0.204677D+02 -0.101085D+02
               241           242           243           244           245 
      1  -0.540644D+00  0.160419D+01 -0.702556D+00  0.137470D+00 -0.477446D+00
      2   0.108331D+02  0.699099D+01  0.850943D+01 -0.503813D+01 -0.471306D+00
      3  -0.704436D+01 -0.121978D+02 -0.707707D+01 -0.304437D+01 -0.231181D+01
               246           247           248           249           250 
      1  -0.632965D+00 -0.150553D+00  0.215485D+00 -0.169227D+01 -0.604141D+00
      2   0.378515D+01  0.437497D-01 -0.305118D+01  0.535536D+01  0.969661D+00
      3   0.570645D-01 -0.106233D+01 -0.232194D+01  0.313758D+01 -0.974950D+00
               251           252           253           254           255 
      1   0.225562D+01  0.259777D+01 -0.210195D+01  0.856916D+00 -0.245783D+01
      2   0.449388D+01 -0.162305D+02  0.180805D+02  0.507266D+01  0.862641D+01
      3   0.462887D+01 -0.341882D+01 -0.152709D+02 -0.132999D+02 -0.107639D+01
               256           257           258           259           260 
      1  -0.127274D+01 -0.634280D+01 -0.589839D+01 -0.142545D+01 -0.138399D+01
      2   0.480371D+01  0.266541D-01  0.894356D+01  0.599584D+01  0.996071D+01
      3  -0.492752D+01  0.238120D+02  0.941107D+00  0.105830D+01 -0.262050D+01
               261           262           263           264           265 
      1   0.775735D+01  0.188629D-01  0.565570D+00  0.850579D+00  0.110355D+01
      2  -0.146737D+02  0.144602D+01 -0.945608D+00  0.168490D+01 -0.151141D+01
      3  -0.714981D+01  0.351391D+01 -0.461311D+01  0.156293D+01 -0.767818D+01
               266           267           268           269           270 
      1  -0.394075D+01 -0.314663D+01 -0.383573D+00  0.429239D+00 -0.568753D+00
      2   0.468136D+01 -0.569587D+01  0.426628D+00 -0.156157D+01  0.176135D+01
      3   0.284551D+02 -0.567426D+01 -0.720482D+00  0.174176D+01  0.191126D+01
               271           272           273           274           275 
      1  -0.165951D+01 -0.777483D+00  0.487939D+00 -0.107615D+00 -0.212803D+01
      2   0.404936D+01  0.986975D-01 -0.220911D+01  0.124460D+01  0.309994D+01
      3   0.208237D+01  0.104389D+01  0.974832D+00  0.846246D+00  0.429903D+00
               276           277           278           279           280 
      1   0.212119D+01 -0.144839D+00  0.475763D+01 -0.103989D+02  0.844769D+00
      2  -0.557829D+01 -0.255361D+01 -0.248145D+01  0.242312D+02 -0.883435D+01
      3  -0.262331D+01  0.124134D+01 -0.459082D+01  0.284166D+01  0.140518D+02
               281           282           283           284           285 
      1   0.825697D+00 -0.201033D+01  0.903719D+00  0.544878D+00 -0.142608D-01
      2  -0.251706D+00  0.798732D+01 -0.831301D+00 -0.997645D+00 -0.109175D+01
      3  -0.643889D+01 -0.667046D+00 -0.370056D+01 -0.988438D+00  0.287400D+00
               286           287           288           289           290 
      1  -0.174870D+01  0.837910D+00 -0.120628D+00  0.107489D+01 -0.775655D+00
      2   0.402909D+01 -0.615535D+00 -0.470264D+00 -0.731685D+00 -0.190330D+01
      3  -0.112893D+01  0.158679D+01  0.190869D+01 -0.447607D+01  0.742183D+01
               291           292           293           294           295 
      1   0.150816D+01 -0.411783D+00  0.598367D+01 -0.377336D+01  0.672525D+00
      2  -0.156051D+01 -0.104733D+01  0.407581D+01  0.385915D+01 -0.165750D+01
      3   0.542773D+00  0.472654D+01 -0.324552D+02 -0.271189D+01 -0.728748D+00
               296           297 
      1  -0.286428D+00 -0.777009D-01
      2   0.235983D+01  0.149881D+01
      3   0.112060D+01 -0.252248D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.145815D+01 -0.861803D+01  0.232548D+02  0.165457D+02 -0.364857D+01
      2   0.566665D+01  0.365505D+01 -0.830747D+01 -0.386650D+01  0.432482D+01
      3  -0.420850D+01  0.496298D+01 -0.149473D+02 -0.126792D+02 -0.676248D+00
      4  -0.408051D+01  0.339077D+01 -0.798065D+00  0.910374D+01  0.437225D+01
      5   0.183013D+02  0.953792D+00 -0.767097D+01 -0.452031D+01 -0.284221D+01
      6   0.747615D+00 -0.371232D+01 -0.556162D+00 -0.979118D+00  0.382297D+01
                 6             7             8             9            10 
      1  -0.163154D+02 -0.247644D+02 -0.101449D+02  0.411065D+01  0.504351D+02
      2   0.145020D+01  0.344402D+01  0.185711D+01  0.405044D+01 -0.186710D+02
      3   0.148652D+02  0.213204D+02  0.828777D+01 -0.816109D+01 -0.317640D+02
      4  -0.409021D+01  0.289214D+01 -0.238843D+01 -0.524538D+01 -0.108344D+02
      5  -0.381755D+01  0.886197D+01 -0.438016D+01  0.612321D+01 -0.281297D+01
      6   0.126857D+02 -0.661919D+01  0.625826D+01  0.147615D+02  0.121539D+01
                11            12            13            14            15 
      1   0.801105D+01 -0.510552D+00  0.106810D+02 -0.559761D+00  0.599238D+01
      2  -0.708545D+01  0.277592D+01 -0.105830D+02  0.679198D+01 -0.994825D+00
      3  -0.925595D+00 -0.226537D+01 -0.979244D-01 -0.623222D+01 -0.499755D+01
      4   0.147561D+01 -0.337881D+01  0.175267D+02 -0.515265D+01 -0.131433D+01
      5  -0.395741D+01  0.673219D+01  0.108233D+02 -0.436506D+00 -0.238274D+01
      6   0.289571D-01 -0.685536D+01 -0.513740D+01  0.407760D+01  0.838517D+01
                16            17            18            19            20 
      1  -0.967686D+01  0.727345D+01 -0.182048D+02 -0.318820D+01  0.632431D+01
      2  -0.462294D+00  0.462884D+01  0.159170D+01 -0.699171D+00 -0.230081D+01
      3   0.101391D+02 -0.119023D+02  0.166131D+02  0.388737D+01 -0.402349D+01
      4   0.155103D+02 -0.163407D+00 -0.443256D+00  0.678983D+01 -0.194598D+01
      5  -0.154451D+02 -0.175011D+01 -0.406520D+01 -0.155961D+02  0.225534D+01
      6  -0.427541D+01  0.630403D+00 -0.537392D+01  0.228722D+01  0.520806D+01
                21            22            23            24            25 
      1  -0.278134D+02 -0.920538D+01 -0.557742D+01 -0.703411D+01  0.241957D+02
      2   0.717677D+01 -0.159889D+01  0.600726D+01  0.319843D+00 -0.175202D+01
      3   0.206366D+02  0.108043D+02 -0.429840D+00  0.671426D+01 -0.224437D+02
      4   0.216701D+01  0.321160D+01 -0.744582D+00  0.377899D+01  0.224380D+01
      5  -0.274505D+01  0.683878D+00  0.226557D+01  0.677142D+01  0.100939D+02
      6   0.597604D+01  0.178668D+01  0.317692D+01  0.867324D+01  0.109085D+02
                26            27            28            29            30 
      1  -0.907936D+01  0.823803D+01  0.175556D+02 -0.346849D+01  0.232591D+01
      2   0.163438D+01 -0.164831D+01 -0.538694D+01  0.702660D+01  0.523634D+00
      3   0.744498D+01 -0.658972D+01 -0.121687D+02 -0.355811D+01 -0.284954D+01
      4   0.433170D+01  0.693361D+01  0.176434D+02  0.250723D+01 -0.237471D+01
      5   0.550642D+01 -0.456065D+01  0.180971D+01 -0.176798D+01  0.787575D+01
      6   0.289039D+01  0.110829D+02  0.401825D+01 -0.101871D+01  0.514070D+01
                31            32            33            34            35 
      1  -0.288246D+01 -0.220252D+01  0.849379D+01 -0.922441D+01  0.950726D+01
      2   0.840392D+01  0.533657D+01 -0.241387D+01  0.274906D+01  0.329974D+01
      3  -0.552146D+01 -0.313405D+01 -0.607991D+01  0.647535D+01 -0.128070D+02
      4   0.150235D+02  0.114109D+01  0.162812D+01  0.119860D+02  0.528247D+01
      5   0.136866D+02 -0.245765D+00  0.216085D+01 -0.181593D+02  0.380860D+01
      6  -0.140050D+01  0.363637D+01  0.659126D+01 -0.110712D+01  0.750509D+00
                36            37            38            39            40 
      1  -0.212230D+02  0.115877D+02 -0.134998D+02  0.263799D+02  0.480603D+01
      2   0.381216D+01 -0.102402D+00  0.119938D+02 -0.127283D+02  0.388561D+01
      3   0.174108D+02 -0.114853D+02  0.150603D+01 -0.136516D+02 -0.869164D+01
      4   0.123263D+01 -0.861284D+01 -0.430803D+00  0.372003D+01  0.142922D+02
      5  -0.305050D+00  0.162674D+02  0.194158D+01 -0.927907D+01 -0.345910D+00
      6  -0.696034D+01 -0.113282D+01 -0.617400D+01  0.620259D+01 -0.400259D+00
                41            42            43            44            45 
      1  -0.125035D+02 -0.541772D+01 -0.180391D+02 -0.453073D+01  0.864787D+01
      2   0.186619D+02 -0.109070D+02  0.186303D+01 -0.351630D+01 -0.174290D+01
      3  -0.615845D+01  0.163247D+02  0.161761D+02  0.804704D+01 -0.690496D+01
      4   0.711463D+01 -0.273581D+01 -0.365098D+01 -0.229446D+01 -0.598841D+01
      5  -0.159294D+01 -0.278781D+01  0.106236D+02 -0.642232D+01  0.675692D+01
      6  -0.735849D+01  0.684784D+01 -0.107146D+02  0.166076D+01  0.810902D+01
                46            47            48            49            50 
      1  -0.110487D+02  0.111740D+02 -0.276149D+02 -0.651933D+01 -0.161344D+02
      2   0.322826D+01 -0.993285D+01  0.961386D+01 -0.528221D+01  0.224422D+02
      3   0.782048D+01 -0.124117D+01  0.180010D+02  0.118015D+02 -0.630780D+01
      4   0.876349D+01 -0.318539D+00  0.512892D+01  0.570057D+01 -0.674164D+01
      5  -0.161097D+02  0.476631D+01 -0.233063D+01  0.500226D+01  0.221657D+01
      6   0.382755D+01  0.611850D+01 -0.527742D+01  0.169285D+00 -0.641330D+01
                51            52            53            54            55 
      1   0.247226D+01  0.374765D+02 -0.402740D+01  0.904998D+01 -0.365308D+02
      2  -0.108533D+02 -0.903750D+01 -0.115808D+01 -0.467001D+01  0.119824D+02
      3   0.838105D+01 -0.284390D+02  0.518548D+01 -0.437997D+01  0.245484D+02
      4   0.175318D+01 -0.419502D+01  0.575866D+00  0.649941D+01  0.104088D+01
      5   0.604325D+01  0.546974D+01  0.660136D+01 -0.650265D+01 -0.425996D+01
      6   0.432995D+01  0.108046D+02 -0.212844D+01  0.760534D+01  0.275504D+01
                56            57            58            59            60 
      1  -0.887598D+01 -0.364668D+01 -0.389416D+02 -0.296726D+02 -0.414350D+01
      2   0.625553D+01 -0.134779D+01  0.269616D+02  0.417322D+01  0.497688D+01
      3   0.262044D+01  0.499447D+01  0.119801D+02  0.254994D+02 -0.833383D+00
      4  -0.245219D+02  0.262910D-01 -0.502304D+02  0.243850D+02 -0.132856D+02
      5  -0.545543D+00 -0.110350D+02 -0.418483D+01 -0.138397D+02  0.726009D+00
      6   0.467036D+00  0.148578D+01 -0.129149D+01  0.484428D+01 -0.230339D+00
                61            62            63            64            65 
      1  -0.292629D+02 -0.732626D+01 -0.834702D+01 -0.560913D+02  0.141554D+02
      2   0.421720D+01  0.690336D+01  0.121683D+02  0.349780D+02 -0.225189D+01
      3   0.250457D+02  0.422896D+00 -0.382129D+01  0.211133D+02 -0.119035D+02
      4  -0.496435D+01 -0.221904D+02  0.755471D+01  0.156415D+02  0.284696D+02
      5  -0.252078D+02  0.473369D+01  0.385873D+02 -0.263989D+01  0.314818D+01
      6   0.408524D+01 -0.190169D+01 -0.653477D+01  0.590660D+00 -0.250892D+01
                66            67            68            69            70 
      1  -0.319867D+01  0.513140D+02  0.500532D+02 -0.608604D+00  0.182697D+02
      2  -0.116185D+01 -0.215296D+02 -0.282027D+02  0.268289D+01 -0.673990D+01
      3   0.436052D+01 -0.297844D+02 -0.218505D+02 -0.207428D+01 -0.115298D+02
      4   0.246113D+01  0.460628D+02 -0.134796D+02  0.169872D+02  0.644986D+01
      5   0.180013D+02  0.793913D+01  0.195544D+02  0.179189D+01  0.355380D+02
      6   0.338895D+01  0.282605D+01  0.498608D+01 -0.104990D+01  0.289741D+01
                71            72            73            74            75 
      1   0.113238D+01  0.348380D+02  0.527493D+02 -0.527510D+01 -0.665148D+01
      2   0.457077D+01 -0.973999D+01 -0.358004D+02 -0.862000D+01 -0.902079D+00
      3  -0.570315D+01 -0.250980D+02 -0.169489D+02  0.138951D+02  0.755356D+01
      4   0.218507D+02  0.436218D+01 -0.228467D+01 -0.296097D+02 -0.752081D+01
      5   0.348871D+01 -0.542233D+02 -0.621216D+01 -0.567571D+01 -0.131044D+02
      6   0.429757D+01 -0.678331D+01 -0.662679D+01 -0.253415D+01 -0.947729D+01
                76            77            78            79            80 
      1  -0.907958D+01 -0.319691D+02  0.407761D+01 -0.113087D+02  0.349713D+01
      2  -0.797658D+01  0.127736D+02 -0.127175D+02 -0.208248D+01 -0.161309D+02
      3   0.170562D+02  0.191955D+02  0.863987D+01  0.133912D+02  0.126337D+02
      4  -0.348301D+02 -0.126974D+02 -0.214004D+02 -0.788774D+01 -0.307416D+02
      5  -0.621319D+01 -0.212149D+02 -0.704131D+01 -0.209598D+02 -0.138879D+02
      6  -0.517001D+01 -0.173775D+02 -0.367000D+01 -0.111206D+02 -0.832637D+01
                81            82            83            84            85 
      1  -0.963441D+01  0.670760D+02 -0.173927D+02 -0.268496D+01 -0.294793D+02
      2   0.916640D+01 -0.358561D+02  0.799837D+01 -0.943918D-02  0.134997D+02
      3   0.468018D+00 -0.312199D+02  0.939437D+01  0.269440D+01  0.159796D+02
      4  -0.190559D+02 -0.200867D+02 -0.383235D+02 -0.613377D+01 -0.593830D+02
      5   0.402032D+02 -0.578813D+01 -0.671831D+01 -0.325400D+02 -0.105480D+02
      6   0.199943D+02 -0.172353D+01 -0.505627D+01 -0.213964D+01 -0.973258D+01
                86            87            88            89            90 
      1  -0.521533D+02 -0.602667D+01 -0.121636D+02 -0.582380D+01 -0.450087D+02
      2   0.262131D+02  0.172054D+01  0.224038D+01  0.161315D+01  0.244324D+02
      3   0.259403D+02  0.430613D+01  0.992324D+01  0.421065D+01  0.205763D+02
      4   0.201336D+02 -0.423860D+02 -0.986929D+01 -0.411965D+02 -0.431681D+01
      5  -0.456531D+02 -0.305290D+01 -0.530634D+02 -0.310191D+01  0.490003D+02
      6   0.645045D-01 -0.514717D+01 -0.369208D+01 -0.568172D+01  0.170436D+01
                91            92            93            94            95 
      1   0.592231D+01 -0.206002D+01 -0.652497D+01 -0.465084D+01 -0.176379D+02
      2  -0.524459D+01 -0.193956D+01  0.106415D+01  0.592135D+01  0.873843D+01
      3  -0.677727D+00  0.399959D+01  0.546082D+01 -0.127051D+01  0.889945D+01
      4  -0.138301D+02 -0.167414D+02 -0.480346D+01 -0.383910D+02  0.166098D+02
      5  -0.173816D+02 -0.320488D+01 -0.111479D+02 -0.119897D+02 -0.661638D+01
      6  -0.585060D+00 -0.626923D+01 -0.697977D+01 -0.228788D+01  0.166292D+01
                96            97            98            99           100 
      1  -0.727431D+01 -0.184164D+02 -0.824598D+01 -0.512498D+01  0.674377D+01
      2   0.340017D+01  0.362358D+01 -0.127804D+01  0.606481D+01 -0.185050D+01
      3   0.387415D+01  0.147928D+02  0.952401D+01 -0.939830D+00 -0.489326D+01
      4  -0.663417D+01 -0.203152D+02 -0.717979D+01 -0.229482D+02  0.993429D+01
      5  -0.205574D+02 -0.204309D+02 -0.217045D+02  0.204198D+02  0.132519D+02
      6  -0.374949D+01 -0.100801D+02 -0.573867D+01  0.722342D+01 -0.600824D+01
               101           102           103           104           105 
      1   0.275298D+01  0.488870D+01  0.141416D+02  0.671754D+01  0.843916D+00
      2  -0.599254D+00 -0.353241D+01 -0.133123D+02 -0.989237D+00  0.412334D+01
      3  -0.215372D+01 -0.135629D+01 -0.829320D+00 -0.572830D+01 -0.496726D+01
      4   0.206771D+01 -0.454866D+01 -0.281385D+00 -0.115136D+02  0.953649D+01
      5  -0.585026D+01 -0.496574D+01 -0.128355D+02  0.115825D+02  0.339395D+02
      6   0.431543D+01  0.778022D+01  0.562639D+01 -0.108575D+02 -0.188168D+02
               106           107           108           109           110 
      1   0.168237D+02 -0.982969D+00 -0.114636D+01  0.211743D+02 -0.146366D+02
      2  -0.236592D+01 -0.753456D+01  0.383677D+01 -0.128794D+02  0.679949D+01
      3  -0.144578D+02  0.851753D+01 -0.269041D+01 -0.829493D+01  0.783708D+01
      4  -0.128908D+02  0.262025D+02  0.261946D+02 -0.206340D+02  0.172977D+02
      5  -0.228105D+02  0.271065D+02  0.191186D+02 -0.305932D+02  0.971188D+01
      6   0.140807D+02 -0.219892D+02 -0.124070D+02  0.114998D+02 -0.328174D+01
               111           112           113           114           115 
      1  -0.227573D+02 -0.143416D+02 -0.678914D+01 -0.596894D+01 -0.286470D+02
      2   0.147715D+02  0.431068D+01  0.158057D+02  0.377987D+01  0.173522D+02
      3   0.798587D+01  0.100310D+02 -0.901652D+01  0.218908D+01  0.112948D+02
      4   0.123683D+02  0.281813D+02 -0.340401D+02 -0.247815D+02  0.254290D+02
      5   0.226405D+02  0.189544D+02 -0.270092D+02 -0.294124D+02  0.388554D+02
      6  -0.554310D+01 -0.846027D+01  0.241310D+02  0.262946D+02 -0.148310D+02
               116           117           118           119           120 
      1  -0.422108D+01 -0.415727D+01  0.656147D+01 -0.290769D+01  0.122420D+02
      2   0.627550D+01 -0.158167D+02 -0.728202D+01  0.829281D+01 -0.814785D+01
      3  -0.205442D+01  0.199740D+02  0.720552D+00 -0.538512D+01 -0.409415D+01
      4  -0.334872D+02 -0.271974D+02  0.281263D+01 -0.972633D+01 -0.298569D+01
      5  -0.302127D+02 -0.690397D+02  0.108906D+02  0.135099D+01  0.742581D+01
      6   0.272997D+02  0.358210D+02 -0.346032D+01 -0.206339D+01 -0.152704D+01
               121           122           123           124           125 
      1   0.223830D+01 -0.690229D+01  0.355352D+01  0.177259D+02  0.117952D+01
      2   0.983414D+01 -0.154860D+02 -0.549862D+00 -0.985752D+01 -0.235438D+01
      3  -0.120724D+02  0.223883D+02 -0.300366D+01 -0.786836D+01  0.117486D+01
      4  -0.205254D+02  0.479055D+02  0.858223D+00 -0.973265D+01  0.110168D+02
      5   0.170644D+01  0.473666D+00 -0.226409D+01  0.174814D+02 -0.114528D+02
      6  -0.419384D+01  0.324153D+01  0.715245D+01 -0.464358D+01  0.133388D+02
               126           127           128           129           130 
      1  -0.105076D+01 -0.706048D+00 -0.920714D-01  0.361045D+01 -0.245985D+01
      2  -0.737091D+01 -0.546744D+01 -0.126187D+01  0.574504D+01 -0.519582D+00
      3   0.842167D+01  0.617349D+01  0.135394D+01 -0.935550D+01  0.297943D+01
      4  -0.106962D+02  0.872473D+00  0.248721D+01 -0.668290D+00  0.118859D+01
      5   0.315570D+02 -0.957093D+01 -0.251777D+01  0.122992D+02 -0.278077D+01
      6  -0.169732D+02  0.328698D+00 -0.166769D+01 -0.579800D+00 -0.101588D+01
               131           132           133           134           135 
      1  -0.314684D+01  0.759204D+01  0.380800D+01  0.470714D+01 -0.235030D+02
      2  -0.406019D+00  0.319300D+01  0.689754D+01  0.193147D+01 -0.146614D+02
      3   0.355286D+01 -0.107850D+02 -0.107055D+02 -0.663861D+01  0.381644D+02
      4   0.115340D+01 -0.123377D+01 -0.171605D+01 -0.305260D+01  0.176175D+01
      5  -0.258167D+01  0.438490D+01  0.122238D+02  0.403508D+01 -0.194519D+02
      6  -0.278532D+01  0.174656D+01  0.861567D+00  0.544954D+01 -0.239008D+01
               136           137           138           139           140 
      1   0.526655D+01 -0.177959D+01 -0.103829D+01 -0.215548D+01  0.302797D+00
      2  -0.550099D+01  0.829902D+00 -0.486660D+01  0.192127D+01 -0.338653D+00
      3   0.234436D+00  0.949685D+00  0.590489D+01  0.234203D+00  0.358557D-01
      4  -0.554025D+01  0.655881D+01 -0.680133D+00  0.632192D+01 -0.575251D+01
      5   0.119151D+02 -0.269632D+01  0.104944D+02 -0.455760D+01  0.306645D+01
      6  -0.106247D+01  0.219879D+01 -0.809851D+00  0.150602D+01 -0.317944D+01
               141           142           143           144           145 
      1   0.524025D+01 -0.412627D+01  0.472403D+01 -0.129341D+02 -0.255133D+01
      2   0.270400D+01 -0.624701D+01  0.124472D+01 -0.929778D+01 -0.272449D+01
      3  -0.794424D+01  0.103733D+02 -0.596875D+01  0.222318D+02  0.527582D+01
      4   0.104614D+01  0.619545D-01  0.187111D+01 -0.235852D+01  0.544618D+01
      5  -0.627674D+01  0.132682D+02 -0.430422D+01  0.167719D+02 -0.918676D+01
      6   0.185283D+01 -0.139862D+01  0.461904D+01 -0.343135D+01 -0.592595D+01
               146           147           148           149           150 
      1  -0.192665D+01  0.550352D+01 -0.252131D+01 -0.437278D+01  0.829915D+01
      2   0.373446D+00  0.281894D+01 -0.527694D+00  0.829980D+00  0.756890D+00
      3   0.155320D+01 -0.832246D+01  0.304901D+01  0.354280D+01 -0.905604D+01
      4   0.388134D+01 -0.543020D+01  0.233557D+01  0.170765D+01 -0.280721D+01
      5  -0.354690D+01  0.118137D+02 -0.350411D+01 -0.257134D+01  0.425989D+01
      6  -0.362879D+01  0.648397D+01 -0.302845D+01 -0.491197D+01  0.820847D+01
               151           152           153           154           155 
      1   0.744050D+01  0.106649D+02 -0.284633D+02  0.232650D+01  0.247147D+01
      2   0.208121D+01 -0.301541D+01 -0.526312D+01 -0.333804D+01 -0.208719D+01
      3  -0.952171D+01 -0.764946D+01  0.337264D+02  0.101153D+01 -0.384280D+00
      4  -0.571122D+01 -0.539189D+01  0.796991D+01 -0.101832D+02  0.717554D+01
      5   0.109117D+02  0.531992D+01 -0.173223D+02  0.151857D+02 -0.576647D+01
      6   0.844396D+01  0.126580D+02 -0.229696D+02 -0.871795D+01  0.569855D+01
               156           157           158           159           160 
      1  -0.219887D+01  0.222813D+00 -0.340291D+01  0.542670D+01 -0.412225D+01
      2  -0.239533D+01  0.110319D+01  0.152952D+01  0.376162D+00 -0.263561D+01
      3   0.459420D+01 -0.132601D+01  0.187339D+01 -0.580286D+01  0.675786D+01
      4  -0.811768D+01  0.493185D+01 -0.496578D+01  0.549049D+01 -0.857570D+01
      5   0.141438D+02 -0.707643D+01  0.469856D+01 -0.773480D+01  0.152261D+02
      6  -0.879060D+01  0.524176D+01 -0.570151D+01  0.821951D+01 -0.103295D+02
               161           162           163           164           165 
      1   0.805109D+01 -0.159958D+02  0.848295D+01  0.200749D+00 -0.739873D+01
      2  -0.355088D+01 -0.296312D+01 -0.798785D+01 -0.500868D+00  0.648643D+01
      3  -0.450022D+01  0.189589D+02 -0.495101D+00  0.300119D+00  0.912304D+00
      4   0.724489D+01 -0.106215D+02 -0.206322D+01  0.725683D+01  0.416958D+01
      5  -0.757304D+01  0.204659D+02 -0.136631D+02  0.279768D+01  0.150878D+02
      6   0.116112D+02 -0.184506D+02  0.217293D+01 -0.138661D+01 -0.214759D+01
               166           167           168           169           170 
      1   0.807254D+01  0.190964D+01 -0.180722D+01 -0.153436D+02 -0.283528D+01
      2  -0.511558D+01 -0.506016D+00  0.131663D+01  0.136319D+02  0.419456D+00
      3  -0.295696D+01 -0.140362D+01  0.490590D+00  0.171167D+01  0.241582D+01
      4   0.757649D+01 -0.354843D+01 -0.407789D+01  0.616351D+01 -0.875663D+01
      5  -0.681341D+00 -0.432404D+01  0.158570D+01  0.225031D+02 -0.845221D+01
      6  -0.148649D+01  0.121150D+01  0.509544D+01 -0.516652D+01  0.649732D+01
               171           172           173           174           175 
      1  -0.431669D+01  0.208525D+02 -0.886443D+01  0.395201D+01 -0.150740D+02
      2  -0.135077D+02 -0.413840D+01 -0.356223D+00 -0.940374D+00 -0.225068D+01
      3   0.178244D+02 -0.167141D+02  0.922065D+01 -0.301164D+01  0.173247D+02
      4  -0.112877D+02 -0.211310D+02  0.238282D+02 -0.195206D+01  0.348051D+02
      5  -0.442217D+02  0.512245D+01 -0.777410D+00  0.513593D+01 -0.177874D+01
      6   0.117211D+02 -0.151020D+01  0.483456D-01 -0.120702D+01  0.102327D+01
               176           177           178           179           180 
      1   0.651457D+00  0.331324D+00  0.197972D+02  0.106056D+01  0.166983D+01
      2   0.202077D+02 -0.271480D+01 -0.595000D+01 -0.464203D+01 -0.367894D+00
      3  -0.208591D+02  0.238348D+01 -0.138472D+02  0.358146D+01 -0.130193D+01
      4  -0.502966D+02  0.685112D+01 -0.974552D+01  0.166416D+02 -0.888794D+01
      5   0.627747D+01 -0.597172D+01  0.930859D+01 -0.767498D+01  0.276002D+01
      6  -0.207706D+01  0.472489D+01 -0.359121D+01  0.545650D+01 -0.240634D+01
               181           182           183           184           185 
      1  -0.126597D+01 -0.250322D+01  0.112925D+02 -0.819917D+01 -0.113867D+02
      2  -0.304096D+01  0.206692D+00 -0.292481D+01  0.343623D+01  0.540766D+01
      3   0.430693D+01  0.229653D+01 -0.836773D+01  0.476295D+01  0.597908D+01
      4  -0.428169D+01 -0.405047D+01  0.243268D+00 -0.313069D+01  0.102462D+01
      5   0.697326D+01 -0.223446D+00 -0.249189D+01  0.831475D+00  0.384912D+01
      6   0.138034D+01  0.778407D-01 -0.158109D+01 -0.512233D+00  0.138299D+00
               186           187           188           189           190 
      1  -0.729997D-01  0.207588D+02 -0.610830D+00 -0.234699D+02 -0.542482D+02
      2   0.829166D+00 -0.906494D+01  0.118927D+01 -0.858722D+01  0.311921D+02
      3  -0.756166D+00 -0.116938D+02 -0.578445D+00  0.320571D+02  0.230560D+02
      4   0.348378D+01  0.160252D+01  0.616370D+01 -0.163027D+01 -0.175260D+02
      5  -0.554070D+00 -0.148956D+00 -0.216727D+00  0.493447D+02  0.271422D+01
      6   0.666485D+01 -0.289688D+00  0.360131D+01  0.678682D+01  0.233537D+01
               191           192           193           194           195 
      1   0.142903D+02  0.187265D+01  0.659409D+01 -0.973933D+01 -0.719122D+00
      2  -0.147757D+02 -0.769517D+00 -0.740249D+01  0.905153D+01  0.153247D+01
      3   0.485435D+00 -0.110314D+01  0.808401D+00  0.687800D+00 -0.813346D+00
      4  -0.439192D+01  0.222658D+01  0.172578D+01 -0.687597D+00  0.194499D+01
      5   0.120647D+01 -0.167105D+01 -0.775885D-01  0.229727D+01  0.790531D+00
      6   0.389937D+00 -0.352535D+01  0.689307D+00  0.112294D+01  0.201645D+01
               196           197           198           199           200 
      1   0.342688D+01 -0.249377D+01 -0.501484D+01  0.269691D+01  0.154758D+01
      2  -0.114510D+01  0.316432D+01  0.189001D+01 -0.205262D+01  0.159663D+01
      3  -0.228177D+01 -0.670550D+00  0.312483D+01 -0.644294D+00 -0.314422D+01
      4   0.936066D+00  0.363446D+01  0.193119D+01  0.564260D+01  0.934215D+01
      5   0.141984D+01  0.288239D+01 -0.331815D+01 -0.101580D+02 -0.347497D+01
      6  -0.196859D+01  0.345513D+01 -0.135990D+01 -0.373971D+01 -0.201617D+01
               201           202           203           204           205 
      1  -0.672102D+01 -0.834243D+00 -0.346213D+00  0.241982D+01 -0.114828D+02
      2   0.537472D+01  0.241667D+01  0.182835D+01 -0.246015D+01  0.800704D+01
      3   0.134631D+01 -0.158243D+01 -0.148214D+01  0.403312D-01  0.347576D+01
      4  -0.543355D+01  0.601137D+01  0.615874D+01 -0.463042D+01 -0.923554D+01
      5   0.142110D+02 -0.402717D+00 -0.493481D+01  0.273240D+01  0.160065D+02
      6   0.548764D+01 -0.147827D+01 -0.274889D+01  0.736517D+01  0.737834D+01
               206           207           208           209           210 
      1   0.559755D+01 -0.621903D+01  0.128755D+02  0.877965D+01  0.520580D+01
      2  -0.561037D+01 -0.875819D+01  0.222737D+01  0.828832D+01  0.164481D+00
      3   0.128186D-01  0.149772D+02 -0.151028D+02 -0.170680D+02 -0.537028D+01
      4  -0.139225D+02  0.164937D+02  0.259580D+02  0.334145D+02  0.833534D+01
      5   0.141104D+02 -0.495276D+02  0.775011D+01  0.593006D+01  0.906796D+01
      6   0.124464D+02 -0.282294D+02  0.498324D+01  0.477318D+01  0.621207D+01
               211           212           213           214           215 
      1   0.891370D+01 -0.325710D+01 -0.117652D+01  0.951337D+01 -0.218644D+01
      2   0.838119D+01  0.319564D+02  0.793775D+01 -0.198455D+00  0.128215D+02
      3  -0.172949D+02 -0.286993D+02 -0.676123D+01 -0.931492D+01 -0.106351D+02
      4   0.332432D+02  0.561300D+02  0.150589D+02  0.160929D+02  0.275905D+02
      5   0.639459D+01  0.136086D+02  0.105111D+02  0.110599D+02  0.137076D+02
      6   0.541574D+01  0.122230D+02  0.101168D+02  0.733759D+01  0.122293D+02
               216           217           218           219           220 
      1   0.109672D+01  0.251303D+02  0.108156D+01 -0.189975D+02  0.318045D+01
      2   0.244446D+01 -0.147327D+02 -0.344344D+00  0.106357D+02 -0.127916D+01
      3  -0.354119D+01 -0.103976D+02 -0.737219D+00  0.836178D+01 -0.190129D+01
      4   0.156075D+02  0.194624D+01  0.852376D+01  0.360543D+00  0.140561D+02
      5   0.876485D+01 -0.195983D+02  0.788590D+00  0.234866D+02  0.134507D+00
      6   0.796195D+01 -0.414823D+00  0.308016D+00  0.462483D+00 -0.793650D+00
               221           222           223           224           225 
      1   0.970030D+01  0.653753D+00 -0.501259D+02  0.179342D+01  0.296185D+02
      2  -0.485497D+01 -0.611857D+00  0.292225D+02 -0.156748D+01 -0.232726D+02
      3  -0.484533D+01 -0.418959D-01  0.209034D+02 -0.225944D+00 -0.634593D+01
      4  -0.153325D+01 -0.422162D+01 -0.949674D-01 -0.113476D+02  0.674649D+00
      5  -0.396011D+01  0.968094D+00  0.428097D+02 -0.355740D+00 -0.691747D+02
      6  -0.537716D+00  0.405894D+01  0.175219D+01  0.415159D+01 -0.235704D+01
               226           227           228           229           230 
      1   0.243197D+02 -0.190384D+02  0.975329D+01 -0.435818D+02  0.291045D+02
      2  -0.117764D+02  0.917818D+01 -0.535647D+01  0.215529D+02 -0.974303D+01
      3  -0.125433D+02  0.986020D+01 -0.439683D+01  0.220289D+02 -0.193615D+02
      4  -0.195127D+02  0.230404D+02 -0.680091D+01  0.399773D+02 -0.621838D+02
      5   0.114664D+02 -0.763701D+01  0.118365D+02 -0.149342D+02  0.239640D+02
      6  -0.250991D+01  0.196717D+01 -0.932704D+00  0.448518D+01 -0.714259D+01
               231           232           233           234           235 
      1  -0.902058D+01  0.211092D+02 -0.787523D+01  0.134159D+02  0.551313D+02
      2   0.582271D+01 -0.118658D+02  0.501116D+01 -0.978138D+01 -0.265587D+02
      3   0.319787D+01 -0.924336D+01  0.286406D+01 -0.363450D+01 -0.285726D+02
      4   0.223896D+02 -0.116400D+02  0.246439D+02 -0.139975D+02  0.317597D+02
      5  -0.198852D+02  0.209819D+02 -0.152746D+02  0.136886D+02  0.233239D+02
      6   0.583729D+01 -0.224599D+01  0.611916D+01 -0.417061D+01  0.522619D+01
               236           237           238           239           240 
      1   0.261678D+02  0.182289D+02  0.561694D+02  0.288099D+02  0.133264D+02
      2  -0.116218D+02 -0.981782D+01 -0.251135D+02 -0.814679D+01 -0.678740D+01
      3  -0.145460D+02 -0.841107D+01 -0.310559D+02 -0.206631D+02 -0.653904D+01
      4   0.274610D+02  0.119347D+02  0.451593D+02  0.424422D+02  0.215013D+02
      5   0.124371D+02  0.199835D+02  0.221579D+02  0.221512D+02  0.210819D+02
      6   0.320190D+01  0.293994D+01  0.696913D+01  0.734766D+01  0.667042D+01
               241           242           243           244           245 
      1   0.358154D+02  0.116874D+02  0.201038D+02  0.218449D+01  0.376414D+01
      2  -0.192140D+02 -0.559464D+01 -0.132430D+02 -0.359337D+01 -0.199063D+01
      3  -0.166014D+02 -0.609272D+01 -0.686083D+01  0.140888D+01 -0.177351D+01
      4   0.191893D+02  0.238722D+02  0.157989D+02  0.623316D+01  0.709579D+01
      5   0.317750D+02  0.162843D+02  0.202503D+02 -0.105019D+02 -0.260865D+01
      6   0.579356D+01  0.672445D+01  0.589977D+01 -0.434977D+01 -0.555498D+00
               246           247           248           249           250 
      1  -0.607688D+01  0.446553D+01 -0.546881D-01  0.203900D+01 -0.847616D+01
      2   0.446329D+01 -0.205491D+01  0.129127D+01 -0.148181D+01  0.749961D+01
      3   0.161359D+01 -0.241062D+01 -0.123658D+01 -0.557185D+00  0.976546D+00
      4  -0.347748D+01  0.106271D+02  0.704007D+01 -0.742748D+01 -0.606845D+01
      5   0.116620D+02 -0.363459D+01 -0.762369D+01  0.111037D+02  0.161598D+02
      6   0.247161D+01 -0.207167D+01 -0.599324D+01  0.805474D+01  0.423752D+01
               251           252           253           254           255 
      1   0.232902D+01 -0.432943D+01 -0.825963D+02 -0.846808D+01  0.679107D+01
      2   0.564182D+00 -0.915203D+01  0.410038D+02  0.124678D+02 -0.491991D+01
      3  -0.289320D+01  0.134815D+02  0.415925D+02 -0.399971D+01 -0.187116D+01
      4  -0.109677D+02  0.110724D+02 -0.126992D+02  0.251329D+02  0.109087D+02
      5   0.985871D+01 -0.348144D+02  0.106698D+02  0.799694D+01  0.146572D+02
      6   0.768800D+01 -0.127658D+02  0.844124D+01  0.646510D+01  0.538940D+01
               256           257           258           259           260 
      1   0.111838D+02  0.359451D+02  0.308766D+01  0.278885D+02  0.332681D+01
      2  -0.143649D+01 -0.385776D+02 -0.721383D+01 -0.120604D+02 -0.307402D+01
      3  -0.974731D+01  0.263248D+01  0.412617D+01 -0.158281D+02 -0.252798D+00
      4   0.284129D+02 -0.254033D+02  0.593820D+01  0.209173D+02  0.153723D+02
      5   0.124458D+02  0.866822D+01  0.189322D+02  0.208820D+02  0.207290D+02
      6   0.715484D+01 -0.381338D+01  0.647377D+01  0.911950D+01  0.880481D+01
               261           262           263           264           265 
      1   0.151208D+02  0.829092D+01 -0.934394D+01  0.278925D+01 -0.853324D+01
      2   0.603057D+01  0.135871D+01 -0.946450D+00 -0.205329D+00 -0.797528D+01
      3  -0.211514D+02 -0.964963D+01  0.102904D+02 -0.258392D+01  0.165085D+02
      4   0.240701D+02 -0.158570D+02  0.194091D+02 -0.430783D+01  0.312521D+02
      5  -0.176101D+02  0.560580D+01 -0.466471D+01  0.407951D+01 -0.814256D+01
      6  -0.240495D+01 -0.339593D+01  0.321177D+01 -0.159905D+01  0.607688D+01
               266           267           268           269           270 
      1  -0.237453D+01  0.230216D-01  0.370623D+00  0.117973D+01 -0.472935D+00
      2   0.318784D+02 -0.519248D+01 -0.208968D+01  0.346699D+01  0.130363D+01
      3  -0.295039D+02  0.516945D+01  0.171906D+01 -0.464672D+01 -0.830699D+00
      4  -0.639144D+02  0.131919D+02  0.204290D+01 -0.408777D+01 -0.443823D+01
      5   0.142288D+02 -0.112852D+02  0.328198D+01 -0.448613D+01  0.453550D+01
      6  -0.138960D+02  0.775040D+01 -0.194746D+01  0.460506D+01 -0.286880D+01
               271           272           273           274           275 
      1   0.609273D+01  0.289560D-01  0.517480D+01 -0.676663D+01 -0.576141D+01
      2  -0.545733D+01 -0.108340D+01 -0.185065D+01  0.346307D+01  0.282603D+01
      3  -0.635407D+00  0.105444D+01 -0.332415D+01  0.330357D+01  0.293539D+01
      4  -0.922160D+00 -0.331919D+01 -0.481633D+00 -0.325791D+01 -0.211386D+01
      5   0.273372D+01 -0.172060D+01 -0.410888D+00 -0.457844D+01  0.335258D+01
      6  -0.516110D+00 -0.160174D+01 -0.127101D+01 -0.980918D+00 -0.318607D+00
               276           277           278           279           280 
      1  -0.224457D+00  0.109319D+02 -0.141869D+00 -0.115758D+02  0.129108D+03
      2   0.494734D+01 -0.720506D+01  0.459884D+01 -0.157726D+02 -0.609374D+02
      3  -0.472288D+01 -0.372683D+01 -0.445697D+01  0.273484D+02 -0.681708D+02
      4   0.364857D+01  0.476911D+01  0.936172D+01 -0.374051D+01  0.436277D+02
      5  -0.100404D+02  0.102681D+02 -0.277315D+01  0.434605D+02  0.113676D+02
      6   0.736503D+00  0.156131D+01  0.367842D+01  0.124868D+02 -0.563925D-01
               281           282           283           284           285 
      1   0.115426D+02 -0.494300D+00 -0.400953D+01  0.664028D+01 -0.305338D+00
      2  -0.188414D+01 -0.759984D+00  0.468550D+01  0.838990D-01  0.627299D+00
      3  -0.965847D+01  0.125428D+01 -0.675976D+00 -0.672418D+01 -0.321961D+00
      4   0.190672D+02  0.125662D+01  0.128073D+02  0.660345D+01 -0.894998D+00
      5   0.187715D+01  0.135439D+02 -0.105707D+01 -0.597328D+00 -0.197472D+01
      6   0.191702D+01  0.388326D+01  0.526764D+00  0.620766D+00  0.287170D+00
               286           287           288           289           290 
      1  -0.160545D+02 -0.177714D+01  0.854081D+01  0.105931D+01  0.137388D+02
      2   0.645860D+01 -0.350637D-01 -0.635315D+01  0.247263D+01 -0.140204D+02
      3   0.959589D+01  0.181220D+01 -0.218767D+01 -0.353194D+01  0.281658D+00
      4  -0.695181D+01 -0.454850D+01  0.135252D+01  0.392793D+01 -0.718041D+01
      5   0.117976D+02 -0.398976D+00 -0.402421D+00 -0.172204D+01 -0.640691D+00
      6   0.315803D+01  0.706157D+00 -0.474547D+00 -0.735702D-01 -0.292036D+01
               291           292           293           294           295 
      1   0.468380D+00  0.120663D+02 -0.324570D+02 -0.320175D+01 -0.381975D+01
      2  -0.373185D+00 -0.467203D+01  0.535224D+02  0.329085D+01  0.983089D+00
      3  -0.951943D-01 -0.739430D+01 -0.210654D+02 -0.890992D-01  0.283666D+01
      4  -0.224626D+01  0.109493D+02  0.588074D+02  0.638842D+01 -0.304132D+01
      5  -0.278816D+01  0.308353D+01  0.378883D+01  0.725565D+01 -0.128335D+00
      6  -0.250484D+01  0.477794D+00  0.119711D+02  0.782089D+01 -0.438350D+00
               296           297 
      1  -0.852994D+00 -0.559072D+01
      2  -0.157734D+01  0.384657D+01
      3   0.243033D+01  0.174416D+01
      4  -0.393945D+01  0.334404D+01
      5   0.421006D+01  0.228535D+01
      6   0.646153D+01  0.132035D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.314295D+00      0.798859D+00      0.266471D+01
   y         -0.273839D+00     -0.696028D+00     -0.232170D+01
   z         -0.559695D+00     -0.142260D+01     -0.474529D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.207575D+03      0.307594D+02      0.342245D+02
   yx        -0.191561D+01     -0.283864D+00     -0.315841D+00
   yy         0.129422D+03      0.191783D+02      0.213388D+02
   zx        -0.116276D+00     -0.172304D-01     -0.191714D-01
   zy        -0.693532D+01     -0.102771D+01     -0.114348D+01
   zz         0.142424D+03      0.211050D+02      0.234825D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170258D+03      0.252297D+02      0.280718D+02
   aniso      0.772172D+02      0.114424D+02      0.127314D+02
   xx         0.220454D+03      0.326679D+02      0.363479D+02
   yx        -0.203962D+01     -0.302240D+00     -0.336288D+00
   yy         0.138323D+03      0.204974D+02      0.228064D+02
   zx        -0.445855D+00     -0.660689D-01     -0.735115D-01
   zy        -0.683302D+01     -0.101255D+01     -0.112661D+01
   zz         0.151998D+03      0.225237D+02      0.250610D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.01113142         -0.48796070          2.68194430
     6          2.18577460          0.85921540          2.13610506
     6         -2.17298501         -0.22171621          1.22050069
     6         -2.20464242          1.41359539         -0.84375156
     6         -0.01251463          2.76120003         -1.39958082
     6          2.14316600          2.49281692          0.06992307
     6          4.55740417          0.51810717          3.66689604
     6          6.58407700         -1.11079587          2.35334701
     6          5.64182101         -3.79240573          1.85082645
     6          9.01212866         -1.13788945          3.91521417
     6         -4.54729734          1.75499155         -2.46941037
     6         -5.00549515         -0.62014795         -4.01224126
     8         -4.40222247         -0.89932027         -6.18587931
     8         -6.16276069         -2.46814925         -2.66942818
     1         -0.02734429         -1.77272989          4.27593174
     1         -3.83935618         -1.31172126          1.68212836
     1          0.00382418          4.03911533         -2.99853562
     1          3.81925624          3.57340864         -0.39658763
     1          4.09077003         -0.34668748          5.48595917
     1          5.37615292          2.36956171          4.08350734
     1          6.99942787         -0.22637568          0.52780470
     1          3.94906726         -3.79440587          0.67629834
     1          5.18272798         -4.74723111          3.62613111
     1          7.08598819         -4.91060593          0.89182207
     1          8.68084068         -1.99438356          5.76666274
     1          9.73060771          0.77200780          4.22417684
     1         10.48902195         -2.22990680          2.97567967
     1         -4.12653570          3.20224281         -3.87189263
     6         -6.87498291          2.55788381         -0.94305434
     1         -6.30826449         -3.91712988         -3.78230505
     1         -7.36543654          1.15237607          0.47584569
     1         -8.50749853          2.82104536         -2.17501837
     1         -6.48531872          4.33980441          0.01453393

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.697874D+00      0.177382D+01      0.591682D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.192570D+03      0.285359D+02      0.317505D+02
   yx        -0.376469D+00     -0.557869D-01     -0.620713D-01
   yy         0.136818D+03      0.202744D+02      0.225583D+02
   zx         0.289520D+02      0.429025D+01      0.477355D+01
   zy        -0.108768D+02     -0.161178D+01     -0.179335D+01
   zz         0.150032D+03      0.222325D+02      0.247370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170258D+03      0.252297D+02      0.280718D+02
   aniso      0.772172D+02      0.114424D+02      0.127314D+02
   xx         0.204464D+03      0.302985D+02      0.337116D+02
   yx        -0.640363D+00     -0.948920D-01     -0.105582D+00
   yy         0.145791D+03      0.216040D+02      0.240377D+02
   zx         0.304781D+02      0.451639D+01      0.502517D+01
   zy        -0.112427D+02     -0.166600D+01     -0.185367D+01
   zz         0.160519D+03      0.237865D+02      0.264660D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
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 C,0.893763,-1.109729,0.998704\C,2.987238,-0.775646,-0.362525\C,3.71048
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 0.290594\H,5.554471,0.218287,-0.792668\H,5.536289,-0.745777,0.686569\H
 ,5.750693,1.005637,0.773849\H,-3.026818,-0.959937,1.324718\C,-3.586088
 ,-1.398877,-0.707092\H,-3.660581,2.353748,-0.711548\H,-3.40532,-1.0387
 42,-1.718004\H,-4.660002,-1.355147,-0.518665\H,-3.267355,-2.439875,-0.
 650623\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.0227198\RMSD=8.859e
 -09\RMSF=9.027e-06\ZeroPoint=0.2842203\Thermal=0.2998988\Dipole=0.3142
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 SILVERMAN'S PARADOX - IF MURPHY'S LAW CAN GO WRONG, IT WILL.
 Job cpu time:       1 days 11 hours 14 minutes 19.8 seconds.
 Elapsed time:       0 days  4 hours 24 minutes 26.0 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 16:54:06 2021.
